0% found this document useful (0 votes)

29 views

XSEOS Spreadsheet

Uploaded by

g247863

Available Formats

Download as XLS, PDF, TXT or read online on Scribd

0% found this document useful (0 votes)

29 views

XSEOS Spreadsheet

Uploaded by

g247863

Available Formats

Download as XLS, PDF, TXT or read online on Scribd

You are on page 1/ 291

Welcome to XSEOS

Version 12.10.21

XSEOS is an Excel add-in to compute thermodynamic prop

using excess Gibbs free energy models and equations of st
Copyright (C) 2008-12 Marcelo Castier

This program is free software: you can redistribute it and/or modify

it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

This program is distributed in the hope that it will be useful,

but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.

Please refer to the Worksheet "GNU GPL License" for the license t

Developed by:
Marcelo Castier
Chemical Engineering Program
Texas A & M University at Qatar
PO Box 23874
Doha, Qatar
E-mails: [email protected] [email protected]

Correlations for properties of oil fractions adapted

from Fortran codes written by Geraldo L. Rochocz

Patel-Teja-Valderrama equations implemented and

and tested in collaboration with Ricardo F. Checoni

Electrolattice equations of state implemented and

and tested in collaboration with Ricardo F. Checoni and Andre Zub

Initial development at:

Department of Chemical and Petroleum Engineering
United Arab Emirates University
P.O. Box 17555
Al Ain, United Arab Emirates
ermodynamic properties
and equations of state.

E. See the

ense" for the license text.

[email protected]

econi and Andre Zuber

GNU GENERAL PUBLIC LICENSE
Version 3, 29 June 2007

Copyright (C) 2007 Free Software Foundation, Inc. <http://fsf.org/>

Everyone is permitted to copy and distribute verbatim copies
of this license document, but changing it is not allowed.

Preamble

The GNU General Public License is a free, copyleft license for

software and other kinds of works.

The licenses for most software and other practical works are designed
to take away your freedom to share and change the works. By contrast,
the GNU General Public License is intended to guarantee your freedom to
share and change all versions of a program--to make sure it remains free
software for all its users. We, the Free Software Foundation, use the
GNU General Public License for most of our software; it applies also to
any other work released this way by its authors. You can apply it to
your programs, too.

When we speak of free software, we are referring to freedom, not

price. Our General Public Licenses are designed to make sure that you
have the freedom to distribute copies of free software (and charge for
them if you wish), that you receive source code or can get it if you
want it, that you can change the software or use pieces of it in new
free programs, and that you know you can do these things.

To protect your rights, we need to prevent others from denying you

these rights or asking you to surrender the rights. Therefore, you have
certain responsibilities if you distribute copies of the software, or if
you modify it: responsibilities to respect the freedom of others.

For example, if you distribute copies of such a program, whether

gratis or for a fee, you must pass on to the recipients the same
freedoms that you received. You must make sure that they, too, receive
or can get the source code. And you must show them these terms so they
know their rights.

Developers that use the GNU GPL protect your rights with two steps:
(1) assert copyright on the software, and (2) offer you this License
giving you legal permission to copy, distribute and/or modify it.

For the developers' and authors' protection, the GPL clearly explains
that there is no warranty for this free software. For both users' and
authors' sake, the GPL requires that modified versions be marked as
changed, so that their problems will not be attributed erroneously to
authors of previous versions.

Some devices are designed to deny users access to install or run

modified versions of the software inside them, although the manufacturer
can do so. This is fundamentally incompatible with the aim of
protecting users' freedom to change the software. The systematic
pattern of such abuse occurs in the area of products for individuals to
use, which is precisely where it is most unacceptable. Therefore, we
have designed this version of the GPL to prohibit the practice for those
products. If such problems arise substantially in other domains, we
stand ready to extend this provision to those domains in future versions
of the GPL, as needed to protect the freedom of users.

Finally, every program is threatened constantly by software patents.

States should not allow patents to restrict development and use of
software on general-purpose computers, but in those that do, we wish to
avoid the special danger that patents applied to a free program could
make it effectively proprietary. To prevent this, the GPL assures that
patents cannot be used to render the program non-free.

The precise terms and conditions for copying, distribution and

modification follow.

TERMS AND CONDITIONS

0. Definitions.

"This License" refers to version 3 of the GNU General Public License.

"Copyright" also means copyright-like laws that apply to other kinds of

works, such as semiconductor masks.

"The Program" refers to any copyrightable work licensed under this

License. Each licensee is addressed as "you". "Licensees" and
"recipients" may be individuals or organizations.

To "modify" a work means to copy from or adapt all or part of the work
in a fashion requiring copyright permission, other than the making of an
exact copy. The resulting work is called a "modified version" of the
earlier work or a work "based on" the earlier work.

A "covered work" means either the unmodified Program or a work based

on the Program.

To "propagate" a work means to do anything with it that, without

permission, would make you directly or secondarily liable for
infringement under applicable copyright law, except executing it on a
computer or modifying a private copy. Propagation includes copying,
distribution (with or without modification), making available to the
public, and in some countries other activities as well.

To "convey" a work means any kind of propagation that enables other

parties to make or receive copies. Mere interaction with a user through
a computer network, with no transfer of a copy, is not conveying.

An interactive user interface displays "Appropriate Legal Notices"

to the extent that it includes a convenient and prominently visible
feature that (1) displays an appropriate copyright notice, and (2)
tells the user that there is no warranty for the work (except to the
extent that warranties are provided), that licensees may convey the
work under this License, and how to view a copy of this License. If
the interface presents a list of user commands or options, such as a
menu, a prominent item in the list meets this criterion.

1. Source Code.

The "source code" for a work means the preferred form of the work
for making modifications to it. "Object code" means any non-source
form of a work.

A "Standard Interface" means an interface that either is an official

standard defined by a recognized standards body, or, in the case of
interfaces specified for a particular programming language, one that
is widely used among developers working in that language.

The "System Libraries" of an executable work include anything, other

than the work as a whole, that (a) is included in the normal form of
packaging a Major Component, but which is not part of that Major
Component, and (b) serves only to enable use of the work with that
Major Component, or to implement a Standard Interface for which an
implementation is available to the public in source code form. A
"Major Component", in this context, means a major essential component
(kernel, window system, and so on) of the specific operating system
(if any) on which the executable work runs, or a compiler used to
produce the work, or an object code interpreter used to run it.

The "Corresponding Source" for a work in object code form means all
the source code needed to generate, install, and (for an executable
work) run the object code and to modify the work, including scripts to
control those activities. However, it does not include the work's
System Libraries, or general-purpose tools or generally available free
programs which are used unmodified in performing those activities but
which are not part of the work. For example, Corresponding Source
includes interface definition files associated with source files for
the work, and the source code for shared libraries and dynamically
linked subprograms that the work is specifically designed to require,
such as by intimate data communication or control flow between those
subprograms and other parts of the work.

The Corresponding Source need not include anything that users

can regenerate automatically from other parts of the Corresponding
Source.

The Corresponding Source for a work in source code form is that

same work.

2. Basic Permissions.

All rights granted under this License are granted for the term of
copyright on the Program, and are irrevocable provided the stated
conditions are met. This License explicitly affirms your unlimited
permission to run the unmodified Program. The output from running a
covered work is covered by this License only if the output, given its
content, constitutes a covered work. This License acknowledges your
rights of fair use or other equivalent, as provided by copyright law.

You may make, run and propagate covered works that you do not
convey, without conditions so long as your license otherwise remains
in force. You may convey covered works to others for the sole purpose
of having them make modifications exclusively for you, or provide you
with facilities for running those works, provided that you comply with
the terms of this License in conveying all material for which you do
not control copyright. Those thus making or running the covered works
for you must do so exclusively on your behalf, under your direction
and control, on terms that prohibit them from making any copies of
your copyrighted material outside their relationship with you.

Conveying under any other circumstances is permitted solely under

the conditions stated below. Sublicensing is not allowed; section 10
makes it unnecessary.

3. Protecting Users' Legal Rights From Anti-Circumvention Law.

No covered work shall be deemed part of an effective technological

measure under any applicable law fulfilling obligations under article
11 of the WIPO copyright treaty adopted on 20 December 1996, or
similar laws prohibiting or restricting circumvention of such
measures.

When you convey a covered work, you waive any legal power to forbid
circumvention of technological measures to the extent such circumvention
is effected by exercising rights under this License with respect to
the covered work, and you disclaim any intention to limit operation or
modification of the work as a means of enforcing, against the work's
users, your or third parties' legal rights to forbid circumvention of
technological measures.

4. Conveying Verbatim Copies.

You may convey verbatim copies of the Program's source code as you
receive it, in any medium, provided that you conspicuously and
appropriately publish on each copy an appropriate copyright notice;
keep intact all notices stating that this License and any
non-permissive terms added in accord with section 7 apply to the code;
keep intact all notices of the absence of any warranty; and give all
recipients a copy of this License along with the Program.

You may charge any price or no price for each copy that you convey,
and you may offer support or warranty protection for a fee.

5. Conveying Modified Source Versions.

You may convey a work based on the Program, or the modifications to

produce it from the Program, in the form of source code under the
terms of section 4, provided that you also meet all of these conditions:

a) The work must carry prominent notices stating that you modified
it, and giving a relevant date.

b) The work must carry prominent notices stating that it is

released under this License and any conditions added under section
7. This requirement modifies the requirement in section 4 to
"keep intact all notices".

c) You must license the entire work, as a whole, under this

License to anyone who comes into possession of a copy. This
License will therefore apply, along with any applicable section 7
additional terms, to the whole of the work, and all its parts,
regardless of how they are packaged. This License gives no
permission to license the work in any other way, but it does not
invalidate such permission if you have separately received it.

d) If the work has interactive user interfaces, each must display

Appropriate Legal Notices; however, if the Program has interactive
interfaces that do not display Appropriate Legal Notices, your
work need not make them do so.

A compilation of a covered work with other separate and independent

works, which are not by their nature extensions of the covered work,
and which are not combined with it such as to form a larger program,
in or on a volume of a storage or distribution medium, is called an
"aggregate" if the compilation and its resulting copyright are not
used to limit the access or legal rights of the compilation's users
beyond what the individual works permit. Inclusion of a covered work
in an aggregate does not cause this License to apply to the other
parts of the aggregate.

6. Conveying Non-Source Forms.

You may convey a covered work in object code form under the terms
of sections 4 and 5, provided that you also convey the
machine-readable Corresponding Source under the terms of this License,
in one of these ways:

a) Convey the object code in, or embodied in, a physical product

(including a physical distribution medium), accompanied by the
Corresponding Source fixed on a durable physical medium
customarily used for software interchange.

b) Convey the object code in, or embodied in, a physical product

(including a physical distribution medium), accompanied by a
written offer, valid for at least three years and valid for as
long as you offer spare parts or customer support for that product
model, to give anyone who possesses the object code either (1) a
copy of the Corresponding Source for all the software in the
product that is covered by this License, on a durable physical
medium customarily used for software interchange, for a price no
more than your reasonable cost of physically performing this
conveying of source, or (2) access to copy the
Corresponding Source from a network server at no charge.

c) Convey individual copies of the object code with a copy of the

written offer to provide the Corresponding Source. This
alternative is allowed only occasionally and noncommercially, and
only if you received the object code with such an offer, in accord
with subsection 6b.

d) Convey the object code by offering access from a designated

place (gratis or for a charge), and offer equivalent access to the
Corresponding Source in the same way through the same place at no
further charge. You need not require recipients to copy the
Corresponding Source along with the object code. If the place to
copy the object code is a network server, the Corresponding Source
may be on a different server (operated by you or a third party)
that supports equivalent copying facilities, provided you maintain
clear directions next to the object code saying where to find the
Corresponding Source. Regardless of what server hosts the
Corresponding Source, you remain obligated to ensure that it is
available for as long as needed to satisfy these requirements.

e) Convey the object code using peer-to-peer transmission, provided

you inform other peers where the object code and Corresponding
Source of the work are being offered to the general public at no
charge under subsection 6d.

A separable portion of the object code, whose source code is excluded

from the Corresponding Source as a System Library, need not be
included in conveying the object code work.

A "User Product" is either (1) a "consumer product", which means any

tangible personal property which is normally used for personal, family,
or household purposes, or (2) anything designed or sold for incorporation
into a dwelling. In determining whether a product is a consumer product,
doubtful cases shall be resolved in favor of coverage. For a particular
product received by a particular user, "normally used" refers to a
typical or common use of that class of product, regardless of the status
of the particular user or of the way in which the particular user
actually uses, or expects or is expected to use, the product. A product
is a consumer product regardless of whether the product has substantial
commercial, industrial or non-consumer uses, unless such uses represent
the only significant mode of use of the product.

"Installation Information" for a User Product means any methods,

procedures, authorization keys, or other information required to install
and execute modified versions of a covered work in that User Product from
a modified version of its Corresponding Source. The information must
suffice to ensure that the continued functioning of the modified object
code is in no case prevented or interfered with solely because
modification has been made.

If you convey an object code work under this section in, or with, or
specifically for use in, a User Product, and the conveying occurs as
part of a transaction in which the right of possession and use of the
User Product is transferred to the recipient in perpetuity or for a
fixed term (regardless of how the transaction is characterized), the
Corresponding Source conveyed under this section must be accompanied
by the Installation Information. But this requirement does not apply
if neither you nor any third party retains the ability to install
modified object code on the User Product (for example, the work has
been installed in ROM).

The requirement to provide Installation Information does not include a

requirement to continue to provide support service, warranty, or updates
for a work that has been modified or installed by the recipient, or for
the User Product in which it has been modified or installed. Access to a
network may be denied when the modification itself materially and
adversely affects the operation of the network or violates the rules and
protocols for communication across the network.

Corresponding Source conveyed, and Installation Information provided,

in accord with this section must be in a format that is publicly
documented (and with an implementation available to the public in
source code form), and must require no special password or key for
unpacking, reading or copying.

7. Additional Terms.

"Additional permissions" are terms that supplement the terms of this

License by making exceptions from one or more of its conditions.
Additional permissions that are applicable to the entire Program shall
be treated as though they were included in this License, to the extent
that they are valid under applicable law. If additional permissions
apply only to part of the Program, that part may be used separately
under those permissions, but the entire Program remains governed by
this License without regard to the additional permissions.

When you convey a copy of a covered work, you may at your option
remove any additional permissions from that copy, or from any part of
it. (Additional permissions may be written to require their own
removal in certain cases when you modify the work.) You may place
additional permissions on material, added by you to a covered work,
for which you have or can give appropriate copyright permission.

Notwithstanding any other provision of this License, for material you

add to a covered work, you may (if authorized by the copyright holders of
that material) supplement the terms of this License with terms:

a) Disclaiming warranty or limiting liability differently from the

terms of sections 15 and 16 of this License; or

b) Requiring preservation of specified reasonable legal notices or

author attributions in that material or in the Appropriate Legal
Notices displayed by works containing it; or

c) Prohibiting misrepresentation of the origin of that material, or

requiring that modified versions of such material be marked in
reasonable ways as different from the original version; or

d) Limiting the use for publicity purposes of names of licensors or

authors of the material; or

e) Declining to grant rights under trademark law for use of some

trade names, trademarks, or service marks; or

f) Requiring indemnification of licensors and authors of that

material by anyone who conveys the material (or modified versions of
it) with contractual assumptions of liability to the recipient, for
any liability that these contractual assumptions directly impose on
those licensors and authors.

All other non-permissive additional terms are considered "further

restrictions" within the meaning of section 10. If the Program as you
received it, or any part of it, contains a notice stating that it is
governed by this License along with a term that is a further
restriction, you may remove that term. If a license document contains
a further restriction but permits relicensing or conveying under this
License, you may add to a covered work material governed by the terms
of that license document, provided that the further restriction does
not survive such relicensing or conveying.

If you add terms to a covered work in accord with this section, you
must place, in the relevant source files, a statement of the
additional terms that apply to those files, or a notice indicating
where to find the applicable terms.

Additional terms, permissive or non-permissive, may be stated in the

form of a separately written license, or stated as exceptions;
the above requirements apply either way.

8. Termination.

You may not propagate or modify a covered work except as expressly

provided under this License. Any attempt otherwise to propagate or
modify it is void, and will automatically terminate your rights under
this License (including any patent licenses granted under the third
paragraph of section 11).

However, if you cease all violation of this License, then your

license from a particular copyright holder is reinstated (a)
provisionally, unless and until the copyright holder explicitly and
finally terminates your license, and (b) permanently, if the copyright
holder fails to notify you of the violation by some reasonable means
prior to 60 days after the cessation.

Moreover, your license from a particular copyright holder is

reinstated permanently if the copyright holder notifies you of the
violation by some reasonable means, this is the first time you have
received notice of violation of this License (for any work) from that
copyright holder, and you cure the violation prior to 30 days after
your receipt of the notice.

Termination of your rights under this section does not terminate the
licenses of parties who have received copies or rights from you under
this License. If your rights have been terminated and not permanently
reinstated, you do not qualify to receive new licenses for the same
material under section 10.

9. Acceptance Not Required for Having Copies.

You are not required to accept this License in order to receive or

run a copy of the Program. Ancillary propagation of a covered work
occurring solely as a consequence of using peer-to-peer transmission
to receive a copy likewise does not require acceptance. However,
nothing other than this License grants you permission to propagate or
modify any covered work. These actions infringe copyright if you do
not accept this License. Therefore, by modifying or propagating a
covered work, you indicate your acceptance of this License to do so.

10. Automatic Licensing of Downstream Recipients.

Each time you convey a covered work, the recipient automatically

receives a license from the original licensors, to run, modify and
propagate that work, subject to this License. You are not responsible
for enforcing compliance by third parties with this License.

An "entity transaction" is a transaction transferring control of an

organization, or substantially all assets of one, or subdividing an
organization, or merging organizations. If propagation of a covered
work results from an entity transaction, each party to that
transaction who receives a copy of the work also receives whatever
licenses to the work the party's predecessor in interest had or could
give under the previous paragraph, plus a right to possession of the
Corresponding Source of the work from the predecessor in interest, if
the predecessor has it or can get it with reasonable efforts.

You may not impose any further restrictions on the exercise of the
rights granted or affirmed under this License. For example, you may
not impose a license fee, royalty, or other charge for exercise of
rights granted under this License, and you may not initiate litigation
(including a cross-claim or counterclaim in a lawsuit) alleging that
any patent claim is infringed by making, using, selling, offering for
sale, or importing the Program or any portion of it.

11. Patents.

A "contributor" is a copyright holder who authorizes use under this

License of the Program or a work on which the Program is based. The
work thus licensed is called the contributor's "contributor version".

A contributor's "essential patent claims" are all patent claims

owned or controlled by the contributor, whether already acquired or
hereafter acquired, that would be infringed by some manner, permitted
by this License, of making, using, or selling its contributor version,
but do not include claims that would be infringed only as a
consequence of further modification of the contributor version. For
purposes of this definition, "control" includes the right to grant
patent sublicenses in a manner consistent with the requirements of
this License.

Each contributor grants you a non-exclusive, worldwide, royalty-free

patent license under the contributor's essential patent claims, to
make, use, sell, offer for sale, import and otherwise run, modify and
propagate the contents of its contributor version.

In the following three paragraphs, a "patent license" is any express

agreement or commitment, however denominated, not to enforce a patent
(such as an express permission to practice a patent or covenant not to
sue for patent infringement). To "grant" such a patent license to a
party means to make such an agreement or commitment not to enforce a
patent against the party.

If you convey a covered work, knowingly relying on a patent license,

and the Corresponding Source of the work is not available for anyone
to copy, free of charge and under the terms of this License, through a
publicly available network server or other readily accessible means,
then you must either (1) cause the Corresponding Source to be so
available, or (2) arrange to deprive yourself of the benefit of the
patent license for this particular work, or (3) arrange, in a manner
consistent with the requirements of this License, to extend the patent
license to downstream recipients. "Knowingly relying" means you have
actual knowledge that, but for the patent license, your conveying the
covered work in a country, or your recipient's use of the covered work
in a country, would infringe one or more identifiable patents in that
country that you have reason to believe are valid.

If, pursuant to or in connection with a single transaction or

arrangement, you convey, or propagate by procuring conveyance of, a
covered work, and grant a patent license to some of the parties
receiving the covered work authorizing them to use, propagate, modify
or convey a specific copy of the covered work, then the patent license
you grant is automatically extended to all recipients of the covered
work and works based on it.

A patent license is "discriminatory" if it does not include within

the scope of its coverage, prohibits the exercise of, or is
conditioned on the non-exercise of one or more of the rights that are
specifically granted under this License. You may not convey a covered
work if you are a party to an arrangement with a third party that is
in the business of distributing software, under which you make payment
to the third party based on the extent of your activity of conveying
the work, and under which the third party grants, to any of the
parties who would receive the covered work from you, a discriminatory
patent license (a) in connection with copies of the covered work
conveyed by you (or copies made from those copies), or (b) primarily
for and in connection with specific products or compilations that
contain the covered work, unless you entered into that arrangement,
or that patent license was granted, prior to 28 March 2007.

Nothing in this License shall be construed as excluding or limiting

any implied license or other defenses to infringement that may
otherwise be available to you under applicable patent law.

12. No Surrender of Others' Freedom.

If conditions are imposed on you (whether by court order, agreement or

otherwise) that contradict the conditions of this License, they do not
excuse you from the conditions of this License. If you cannot convey a
covered work so as to satisfy simultaneously your obligations under this
License and any other pertinent obligations, then as a consequence you may
not convey it at all. For example, if you agree to terms that obligate you
to collect a royalty for further conveying from those to whom you convey
the Program, the only way you could satisfy both those terms and this
License would be to refrain entirely from conveying the Program.

13. Use with the GNU Affero General Public License.

Notwithstanding any other provision of this License, you have

permission to link or combine any covered work with a work licensed
under version 3 of the GNU Affero General Public License into a single
combined work, and to convey the resulting work. The terms of this
License will continue to apply to the part which is the covered work,
but the special requirements of the GNU Affero General Public License,
section 13, concerning interaction through a network will apply to the
combination as such.

14. Revised Versions of this License.

The Free Software Foundation may publish revised and/or new versions of
the GNU General Public License from time to time. Such new versions will
be similar in spirit to the present version, but may differ in detail to
address new problems or concerns.

Each version is given a distinguishing version number. If the

Program specifies that a certain numbered version of the GNU General
Public License "or any later version" applies to it, you have the
option of following the terms and conditions either of that numbered
version or of any later version published by the Free Software
Foundation. If the Program does not specify a version number of the
GNU General Public License, you may choose any version ever published
by the Free Software Foundation.

If the Program specifies that a proxy can decide which future

versions of the GNU General Public License can be used, that proxy's
public statement of acceptance of a version permanently authorizes you
to choose that version for the Program.

Later license versions may give you additional or different

permissions. However, no additional obligations are imposed on any
author or copyright holder as a result of your choosing to follow a
later version.

15. Disclaimer of Warranty.

THERE IS NO WARRANTY FOR THE PROGRAM, TO THE EXTENT PERMITTED BY

APPLICABLE LAW. EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT
HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY
OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO,
THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM
IS WITH YOU. SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF
ALL NECESSARY SERVICING, REPAIR OR CORRECTION.

16. Limitation of Liability.

IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING

WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS
THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY
GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE
USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF
DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD
PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS),
EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF
SUCH DAMAGES.

17. Interpretation of Sections 15 and 16.

If the disclaimer of warranty and limitation of liability provided

above cannot be given local legal effect according to their terms,
reviewing courts shall apply local law that most closely approximates
an absolute waiver of all civil liability in connection with the
Program, unless a warranty or assumption of liability accompanies a
copy of the Program in return for a fee.

END OF TERMS AND CONDITIONS

How to Apply These Terms to Your New Programs

If you develop a new program, and you want it to be of the greatest

possible use to the public, the best way to achieve this is to make it
free software which everyone can redistribute and change under these terms.

To do so, attach the following notices to the program. It is safest

to attach them to the start of each source file to most effectively
state the exclusion of warranty; and each file should have at least
the "copyright" line and a pointer to where the full notice is found.

<one line to give the program's name and a brief idea of what it does.>
Copyright (C) <year> <name of author>

This program is free software: you can redistribute it and/or modify

it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

This program is distributed in the hope that it will be useful,

but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.

You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.

Also add information on how to contact you by electronic and paper mail.

If the program does terminal interaction, make it output a short

notice like this when it starts in an interactive mode:

<program> Copyright (C) <year> <name of author>

This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
This is free software, and you are welcome to redistribute it
under certain conditions; type `show c' for details.

The hypothetical commands `show w' and `show c' should show the appropriate
parts of the General Public License. Of course, your program's commands
might be different; for a GUI interface, you would use an "about box".

You should also get your employer (if you work as a programmer) or school,
if any, to sign a "copyright disclaimer" for the program, if necessary.
For more information on this, and how to apply and follow the GNU GPL, see
<http://www.gnu.org/licenses/>.

The GNU General Public License does not permit incorporating your program
into proprietary programs. If your program is a subroutine library, you
may consider it more useful to permit linking proprietary applications with
the library. If this is what you want to do, use the GNU Lesser General
Public License instead of this License. But first, please read
<http://www.gnu.org/philosophy/why-not-lgpl.html>.
Notes and comments

Literature references:

Some of the models implemented in XSEOS are relatively new and are not discussed in textbooks.
In such cases, references to scientific journals are provided.

Other models implemented in XSEOS are commonly used by the oil/gas/chemical industry and are discussed in ma
Given that XSEOS is primarily intended for education and access to scientific journals may not be immediate for all
reference to a textbook was preferred in these cases. In the case of the most popular models, many textbooks actu
but a single reference is provided, as example.

Version history:

7.11.29:
(a) fixed r and q values of methanol in the UNIQUAC sheet.

8.01.17:
(a) fixed function rkp (previously called srkp by mistake)
(b) included Margules model.
(c) included reference to the MTC equation of state

8.01.29:
(a) included function eosresidual to compute gr/(RT),.hr/(RT), sr/R, and cpr/R given T,v,x.
(b) included specific functions for each EOS that interface the function eosresidual.

8.04.24
(a) uses a less tight convergence criterion in the EOS root-finding procedure to reduce numerical crashes.
(b) fixed a comment about isenthalpic expansion in the SRK worksheet.

8.05.20
(a) included a version of the Peng-Robinson EOS with a quadratic mixing rule for the b-parameter.
(b) included the following methods to predict Tc, Pc, acentric factor, and molar mass of oil fractions
b.1: Whitson interpolation functions
b.2: Kesler-Lee correlations
b.3: Edminster correlation for acentric factor

8.09.22
(a) enhanced compatibility with Excel 2007.

9.04.01
(a) included several methods to predict critical temperature, critical pressure, and acentric factor of oil fractions
9.11.17
(a) included the parachor, Miqueu, and Danesh methods to predict surface tension
(b) included functions to compute liquid or vapor molar volume with each equation of state

10.03.22
(a) the surface tension examples were moved to a separate file because they were slowing down all spreadsheet calc

10.05.12
(a) corrected the temperature used to compute the properties of stream III in the adiabatic mixing example of the UNIQ

10.10.04
(a) included an extended Peng-Robinson model for confined fluids.
This required several code changes to include the optional argument "extracells" in several Subs and Functions.

10.10.11
(a) included an option to compute EOS properties with the root that gives the lowest value of the molar Gibbs energy a

11.10.13
(a) included the Patel-Teja-Valderrama and the electrolattice equations of state

11.11.13
(a) The van der Waals, Redlich-Kwong, Peng-Robinson, Soave-Redlich-Kwong, Stryjek-Vera equations of state were
They now return the residual entropy divided by R.
Acknowledgements to Dema Almasri and Mary Katebah (TAMUQ students) and Dr. Aaron Scurto (University of Ka

12.04.20
(a) Two versions of the electrolattice equation of state were implemented: with ions of equal diameter and of unequal d

12.10.21
(a) Removed DLL calls forgotten inside the package after some experimental runs.
Acknowledgements to Dr. Ali Khalaf Al-matar, Chemical Engineering Department, University of Jordan, for spotting
Calculation of activity coefficients and excess properties in binary mixtures using the 2-, 3-

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Comments about the Margules model:

(1) Unlike other models in XSEOS, the Margules model is implemented for binary mixtures only;
(2) To use Margules 2-suffix formula, set the values of B and C to zero;
(3) To use Margules 3-suffix formula, set the value of C to zero;
(4) Acitivity coefficients were derived from the following form of the Margules molar excess Gibbs free energy (Reid et al., 1987

gE
RT
xx

 1 2 A  B  x1  x2   C  x1  x2 
RT
2

methyl ethyl ketone(1)+toluene(2)
Example taken from Smith, J.M., H.C. van Ness, and M.M. Abbott, Introduction to Chemical Engineering Thermodynam

Comment: Smith, van Ness, and Abbott write the Margules equation in a form different from the one above. There
cannot be used directly and must be converted to the above representation. The values of parameters

Universal gas constant and temperature

R (J/(mol.K)) 8.314
T (K) 323.15

Model parameters
A 765.7007
B -233.7402
C 0
These 2 columns were calculated These two columns were calculated
with array function margules. with spreadsheet formulas.
x1 x2 lngama(1) lngama(2) gama(1)
0 1 Err:511 Err:511 Err:511
0.05 0.95 Err:511 Err:511 Err:511
0.1 0.9 Err:511 Err:511 Err:511
0.15 0.85 Err:511 Err:511 Err:511
0.2 0.8 Err:511 Err:511 Err:511
0.25 0.75 Err:511 Err:511 Err:511
0.3 0.7 Err:511 Err:511 Err:511
0.35 0.65 Err:511 Err:511 Err:511
0.4 0.6 Err:511 Err:511 Err:511
0.45 0.55 Err:511 Err:511 Err:511
0.5 0.5 Err:511 Err:511 Err:511
0.55 0.45 Err:511 Err:511 Err:511
0.6 0.4 Err:511 Err:511 Err:511
0.65 0.35 Err:511 Err:511 Err:511
0.7 0.3 Err:511 Err:511 Err:511
0.75 0.25 Err:511 Err:511 Err:511
0.8 0.2 Err:511 Err:511 Err:511
0.85 0.15 Err:511 Err:511 Err:511
0.9 0.1 Err:511 Err:511 Err:511
0.95 0.05 Err:511 Err:511 Err:511
1 0 Err:511 Err:511 Err:511

The values highlighted with a pink background are the activity coefficients of methyl ethyl ketone(1) and toluene(2) at
They are in perfect agreement with the values reported by Smith, van Ness, and Abbott.
ary mixtures using the 2-, 3- or 4-suffix Margules model

ess Gibbs free energy (Reid et al., 1987):

Chemical Engineering Thermodynamics, 6th ed.,McGraw-Hill, page 424.

m different from the one above. Therefore, the parameters they provide
esentation. The values of parameters A and B below represent these conversions.

wo columns were calculated These 4 columns were calculated

readsheet formulas. with array function margulesxs.
gama(2) ge/(RT) he/(RT) se/R cpe/R
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511

thyl ethyl ketone(1) and toluene(2) at infinite dilution.

Calculation of activity coefficients and excess properties using Regular Solution Theory

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Universal gas constant and temperature

R (J/(mol.K)) 8.314
T (K) 344

Model parameters

v(cm3/mol) delta (J/cm3)^(1/2)

n-pentane 116 14.5
n-octane 164 15.3

These 2 columns were calculated These two columns were calculated

with array function regsol. with spreadsheet formulas.
x(n-pentane) x(n-octane) lngama(n-pentane) lngama(n-octane) gama(n-pentane)
0 1 Err:511 Err:511 Err:511
0.02 0.98 Err:511 Err:511 Err:511
0.04 0.96 Err:511 Err:511 Err:511
0.06 0.94 Err:511 Err:511 Err:511
0.08 0.92 Err:511 Err:511 Err:511
0.1 0.9 Err:511 Err:511 Err:511
0.12 0.88 Err:511 Err:511 Err:511
0.14 0.86 Err:511 Err:511 Err:511
0.16 0.84 Err:511 Err:511 Err:511
0.18 0.82 Err:511 Err:511 Err:511
0.2 0.8 Err:511 Err:511 Err:511
0.22 0.78 Err:511 Err:511 Err:511
0.24 0.76 Err:511 Err:511 Err:511
0.26 0.74 Err:511 Err:511 Err:511
0.28 0.72 Err:511 Err:511 Err:511
0.3 0.7 Err:511 Err:511 Err:511
0.32 0.68 Err:511 Err:511 Err:511
0.34 0.66 Err:511 Err:511 Err:511
0.36 0.64 Err:511 Err:511 Err:511
0.38 0.62 Err:511 Err:511 Err:511
0.4 0.6 Err:511 Err:511 Err:511
0.42 0.58 Err:511 Err:511 Err:511
0.44 0.56 Err:511 Err:511 Err:511
0.46 0.54 Err:511 Err:511 Err:511
0.48 0.52 Err:511 Err:511 Err:511
0.5 0.5 Err:511 Err:511 Err:511
0.52 0.48 Err:511 Err:511 Err:511
0.54 0.46 Err:511 Err:511 Err:511
0.56 0.44 Err:511 Err:511 Err:511
0.58 0.42 Err:511 Err:511 Err:511
0.6 0.4 Err:511 Err:511 Err:511
0.62 0.38 Err:511 Err:511 Err:511
0.64 0.36 Err:511 Err:511 Err:511
0.66 0.34 Err:511 Err:511 Err:511
0.68 0.32 Err:511 Err:511 Err:511
0.7 0.3 Err:511 Err:511 Err:511
0.72 0.28 Err:511 Err:511 Err:511
0.74 0.26 Err:511 Err:511 Err:511
0.76 0.24 Err:511 Err:511 Err:511
0.78 0.22 Err:511 Err:511 Err:511
0.8 0.2 Err:511 Err:511 Err:511
0.82 0.18 Err:511 Err:511 Err:511
0.84 0.16 Err:511 Err:511 Err:511
0.86 0.14 Err:511 Err:511 Err:511
0.88 0.12 Err:511 Err:511 Err:511
0.9 0.1 Err:511 Err:511 Err:511
0.92 0.08 Err:511 Err:511 Err:511
0.94 0.06 Err:511 Err:511 Err:511
0.96 0.04 Err:511 Err:511 Err:511
Logarithm of activity coefficient

0.98 0.02 Err:511 Err:511 Err:511

1 0 Err:511 Err:511 Err:511

0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7
Mole fraction n-pentane

10
RT)
12

ge/(RT)
8

0
0 0.1 0.2 0.3 0.4 0.5 0.6
Mole fraction of n-pentane
sing Regular Solution Theory

wo columns were calculated These 4 columns were calculated with array function regsolxs.
eadsheet formulas.
gama(n-octane) ge/(RT) he/(RT) se/R cpe/R
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511

n-pentane
n-octane

0.5 0.6 0.7 0.8 0.9 1

fraction n-pentane
0.4 0.5 0.6 0.7 0.8 0.9 1
Mole fraction of n-pentane
Calculation of activity coefficients and excess properties using the Flory-Huggins model

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

R (cal/(mol.K)) T(K)
1.987 344
Size parameter 1 5
Chi parameter (symmetrical matrix) 0 0.1
0.1 0

These 2 columns were calculated

with array function fh.
x1 x2 lngama(1) lngama(2)
0 1 Err:511 Err:511
0.02 0.98 Err:511 Err:511
0.04 0.96 Err:511 Err:511
0.06 0.94 Err:511 Err:511
0.08 0.92 Err:511 Err:511
0.1 0.9 Err:511 Err:511
0.12 0.88 Err:511 Err:511
0.14 0.86 Err:511 Err:511
0.16 0.84 Err:511 Err:511
0.18 0.82 Err:511 Err:511
0.2 0.8 Err:511 Err:511
0.22 0.78 Err:511 Err:511
0.24 0.76 Err:511 Err:511
0.26 0.74 Err:511 Err:511
0.28 0.72 Err:511 Err:511
0.3 0.7 Err:511 Err:511
0.32 0.68 Err:511 Err:511
0.34 0.66 Err:511 Err:511
0.36 0.64 Err:511 Err:511
0.38 0.62 Err:511 Err:511
0.4 0.6 Err:511 Err:511
0.42 0.58 Err:511 Err:511
0.44 0.56 Err:511 Err:511
0.46 0.54 Err:511 Err:511
0.48 0.52 Err:511 Err:511
0.5 0.5 Err:511 Err:511
0.52 0.48 Err:511 Err:511
0.54 0.46 Err:511 Err:511
0.56 0.44 Err:511 Err:511
0.58 0.42 Err:511 Err:511
0.6 0.4 Err:511 Err:511
0.62 0.38 Err:511 Err:511
0.64 0.36 Err:511 Err:511
0.66 0.34 Err:511 Err:511
0.68 0.32 Err:511 Err:511
0.7 0.3 Err:511 Err:511
0.72 0.28 Err:511 Err:511
0.74 0.26 Err:511 Err:511
0.76 0.24 Err:511 Err:511
0.78 0.22 Err:511 Err:511
0.8 0.2 Err:511 Err:511
0.82 0.18 Err:511 Err:511
0.84 0.16 Err:511 Err:511
0.86 0.14 Err:511 Err:511
0.88 0.12 Err:511 Err:511
0.9 0.1 Err:511 Err:511
0.92 0.08 Err:511 Err:511
0.94 0.06 Err:511 Err:511
0.96 0.04 Err:511 Err:511
Logarithm of activity coefficient

0.98 0.02 Err:511 Err:511

1 0 Err:511 Err:511

0
0 0.1 0.2 0.3 0.4 0.5
Mole fraction of com
2

0
0 0.1 0.2 0.3 0.4 0.5
Mole fraction of com

ge/(RT)
8

0
0 0.1 0.2 0.3 0.4 0.5 0
Mole fraction of compon
Huggins model

ecifications.

These two columns were calculated These 4 columns were calculated with array function fhxs.
with spreadsheet formulas.
gama(1) gama(2) ge/(RT) he/(RT) se/R cpe/R
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511

Component 1
Component 2

0.4 0.5 0.6 0.7 0.8 0.9 1

Mole fraction of component 1
0.4 0.5 0.6 0.7 0.8 0.9 1
Mole fraction of component 1

0.4 0.5 0.6 0.7 0.8 0.9 1

ole fraction of component 1
Calculation of activity coefficients and excess properties using the Wilson model

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Acetone(1)+Water(2)
R (cal/(mol.K)) T(K)
1.987 344
V (cm3/mol) 74.05 18.07
Binary interactions (cal/mol) 0 291.27
1448.01 0

These 2 columns were calculated

with array function wilson.
x1 x2 lngama(1)
0 1 Err:511
0.02 0.98 Err:511
0.04 0.96 Err:511
0.06 0.94 Err:511
0.08 0.92 Err:511
0.1 0.9 Err:511
0.12 0.88 Err:511
0.14 0.86 Err:511
0.16 0.84 Err:511
0.18 0.82 Err:511
0.2 0.8 Err:511
0.22 0.78 Err:511
0.24 0.76 Err:511
0.26 0.74 Err:511
0.28 0.72 Err:511
0.3 0.7 Err:511
0.32 0.68 Err:511
0.34 0.66 Err:511
0.36 0.64 Err:511
0.38 0.62 Err:511
0.4 0.6 Err:511
0.42 0.58 Err:511
0.44 0.56 Err:511
0.46 0.54 Err:511
0.48 0.52 Err:511
0.5 0.5 Err:511
0.52 0.48 Err:511
0.54 0.46 Err:511
0.56 0.44 Err:511
0.58 0.42 Err:511
0.6 0.4 Err:511
0.62 0.38 Err:511
0.64 0.36 Err:511
0.66 0.34 Err:511
0.68 0.32 Err:511
0.7 0.3 Err:511
0.72 0.28 Err:511
0.74 0.26 Err:511
0.76 0.24 Err:511
0.78 0.22 Err:511
0.8 0.2 Err:511
0.82 0.18 Err:511
0.84 0.16 Err:511
0.86 0.14 Err:511
0.88 0.12 Err:511
0.9 0.1 Err:511
0.92 0.08 Err:511
0.94 0.06 Err:511
0.96 0.04 Err:511
0.98 0.02 Err:511
1 0 Err:511

Parameter fitting in the Wilson model from vapor-liquid equilibrium data using Excel Solver

Modified version of problem 12.1: Smith, van Ness, and Abbott, Introduction to Chemical Engineering Thermodynami

Objective:
Fit the binary interaction parameters of the Wilson model using experimental vapor-liquid equilibrium data minimizing the summ

methanol(1)+water(2)
R (cal/(mol.K)) T(K)
1.987 333.15
Molar volume (cm3/mol) 40.73 18.07
Binary interactions 0 200
600 0

The first five columns are experimental data for the mixture.

x1exp x2exp y1exp

0 1 0
0.1686 0.8314 0.5714
0.2167 0.7833 0.6268
0.3039 0.6961 0.6943
0.3681 0.6319 0.7345
0.4461 0.5539 0.7742
0.5282 0.4718 0.8085
0.6044 0.3956 0.8383
0.6804 0.3196 0.8733
0.7255 0.2745 0.8922
0.7776 0.2224 0.9141
1 0 1
the Wilson model

one are problem specifications.

s are results of calculations.

e 2 columns were calculated These two columns were calculated These 4 columns were calculated with array function wils
array function wilson. with spreadsheet formulas.
lngama(2) gama(1) gama(2) ge/(RT) he/(RT)
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511

ium data using Excel Solver

hemical Engineering Thermodynamics, 6th edition, Mc-Graw-Hill, 2001 (reference to the data points available there).

id equilibrium data minimizing the summation of the squared difference between experimental and calculated pressures.

Pure component vapor pressures

P1sat 84.562
P2sat 19.953

ntal data for the mixture. These 2 columns were calculated These final columns were calculated w
with array function wilson.
y2exp Pexp(kPa) lngama1 lngama2 gama1
1 19.953 Err:511 Err:511 Err:511
0.4286 39.223 Err:511 Err:511 Err:511
0.3732 42.984 Err:511 Err:511 Err:511
0.3057 48.852 Err:511 Err:511 Err:511
0.2655 52.784 Err:511 Err:511 Err:511
0.2258 56.652 Err:511 Err:511 Err:511
0.1915 60.614 Err:511 Err:511 Err:511
0.1617 63.998 Err:511 Err:511 Err:511
0.1267 67.924 Err:511 Err:511 Err:511
0.1078 70.229 Err:511 Err:511 Err:511
0.0859 72.832 Err:511 Err:511 Err:511
0 84.562 Err:511 Err:511 Err:511
alculated with array function wilsonxs.

se/R cpe/R
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511

nts available there).

ulated pressures.

final columns were calculated with spreadsheet formulas.

gama2 Pcalc(kPa) deltaP deltaP^2 y1calc y2calc

Hint: use Solver to minimize the objective function cell

changing the two cells that correspond to the binary
interaction parameters of the Wilson model.
Calculation of activity coefficients and excess properties using the TK-Wilson model

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

R (cal/(mol.K)) T(K)
1.987 344
V (cm3/mol) 74.05 18.07 Parameters for a hypothetical mixture
Binary interactions (cal/mol) 0 291.27
1448.01 0

These 2 columns were calculated

with array function tkwilson.
x1 x2 lngama(1) lngama(2)
0 1 Err:511 Err:511
0.02 0.98 Err:511 Err:511
0.04 0.96 Err:511 Err:511
0.06 0.94 Err:511 Err:511
0.08 0.92 Err:511 Err:511
0.1 0.9 Err:511 Err:511
0.12 0.88 Err:511 Err:511
0.14 0.86 Err:511 Err:511
0.16 0.84 Err:511 Err:511
0.18 0.82 Err:511 Err:511
0.2 0.8 Err:511 Err:511
0.22 0.78 Err:511 Err:511
0.24 0.76 Err:511 Err:511
0.26 0.74 Err:511 Err:511
0.28 0.72 Err:511 Err:511
0.3 0.7 Err:511 Err:511
0.32 0.68 Err:511 Err:511
0.34 0.66 Err:511 Err:511
0.36 0.64 Err:511 Err:511
0.38 0.62 Err:511 Err:511
0.4 0.6 Err:511 Err:511
0.42 0.58 Err:511 Err:511
0.44 0.56 Err:511 Err:511
0.46 0.54 Err:511 Err:511
0.48 0.52 Err:511 Err:511
0.5 0.5 Err:511 Err:511
0.52 0.48 Err:511 Err:511
0.54 0.46 Err:511 Err:511
0.56 0.44 Err:511 Err:511
0.58 0.42 Err:511 Err:511
0.6 0.4 Err:511 Err:511
0.62 0.38 Err:511 Err:511
0.64 0.36 Err:511 Err:511
0.66 0.34 Err:511 Err:511
0.68 0.32 Err:511 Err:511
0.7 0.3 Err:511 Err:511
0.72 0.28 Err:511 Err:511
0.74 0.26 Err:511 Err:511
0.76 0.24 Err:511 Err:511
0.78 0.22 Err:511 Err:511
0.8 0.2 Err:511 Err:511
0.82 0.18 Err:511 Err:511
0.84 0.16 Err:511 Err:511
0.86 0.14 Err:511 Err:511
0.88 0.12 Err:511 Err:511
0.9 0.1 Err:511 Err:511
0.92 0.08 Err:511 Err:511
0.94 0.06 Err:511 Err:511
0.96 0.04 Err:511 Err:511
0.98 0.02 Err:511 Err:511
1 0 Err:511 Err:511
e TK-Wilson model

specifications.

alculations.

eters for a hypothetical mixture

These two columns were calculated These 4 columns were calculated with array function tkwilsonxs.
with spreadsheet formulas.
gama(1) gama(2) ge/(RT) he/(RT) se/R
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
ay function tkwilsonxs.

cpe/R
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Calculation of activity coefficients and excess properties using the NRTL model

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

R (cal/(mol.K)) T(K)
1.987 333.15
alfa 0.3 0.3
0.3 0.3
Binary interactions (cal/mol) 0 -270.3
840.8 0

These 2 columns were calculated

with array function nrtl.
x1 x2 lngamma(1)
0 1 Err:511
0.02 0.98 Err:511
0.04 0.96 Err:511
0.06 0.94 Err:511
0.08 0.92 Err:511
0.1 0.9 Err:511
0.12 0.88 Err:511
0.14 0.86 Err:511
0.16 0.84 Err:511
0.18 0.82 Err:511
0.2 0.8 Err:511
0.22 0.78 Err:511
0.24 0.76 Err:511
0.26 0.74 Err:511
0.28 0.72 Err:511
0.3 0.7 Err:511
0.32 0.68 Err:511
0.34 0.66 Err:511
0.36 0.64 Err:511
0.38 0.62 Err:511
0.4 0.6 Err:511
0.42 0.58 Err:511
0.44 0.56 Err:511
0.46 0.54 Err:511
0.48 0.52 Err:511
0.5 0.5 Err:511
0.52 0.48 Err:511
0.54 0.46 Err:511
0.56 0.44 Err:511
0.58 0.42 Err:511
0.6 0.4 Err:511
0.62 0.38 Err:511
0.64 0.36 Err:511
0.66 0.34 Err:511
0.68 0.32 Err:511
0.7 0.3 Err:511
0.72 0.28 Err:511
0.74 0.26 Err:511
0.76 0.24 Err:511
0.78 0.22 Err:511
0.8 0.2 Err:511
0.82 0.18 Err:511
0.84 0.16 Err:511
0.86 0.14 Err:511
0.88 0.12 Err:511
0.9 0.1 Err:511
0.92 0.08 Err:511
0.94 0.06 Err:511
0.96 0.04 Err:511
0.98 0.02 Err:511
1 0 Err:511
Thermodynamic property

0
0 0.1 0.2 0.3 0.M

Parameter fitting in the NRTL model from isothermal vapor-liquid equilibrium data using

Modified version of problem 12.1: Smith, van Ness, and Abbott, Introduction to Chemical Engineering Thermodyn

Objective:
Fit the binary interaction parameters of the NRTL model using experimental vapor-liquid equilibrium data minimizing the su

methanol(1)+water(2)
R (cal/(mol.K)) T(K)
1.987 333.15
alfa 0.3 0.3
0.3 0.3
Binary interactions (cal/mol) 0 -100
100 0

The first five columns are experimental data for the mixture.

x1exp x2exp y1exp

90
80
70
60
50
40
30
20
10
0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
Mole fraction of methanol

Parameter fitting in the NRTL model from isobaric vapor-liquid equilibrium data using Ex
Objective:
Fit the binary interaction parameters of the NRTL model using experimental vapor-liquid equilibrium data minimizing the su

Experimental data
Radhamma, M. , Cheng-Ting Hsieh, P. Venkatesu, M. V. Prabhakara Rao, Ming-Jer Lee, and Ho-mu Lin
Isobaric Vapor–Liquid Equilibrium for Dimethylsulfoxide with Chloroethanes and Chloroethenes
J. Chem. Eng. Data 2008, 53, 374–377

1,2-DCE DMSO
C1 85.45 49.37
C2 -6920.4 -7620.6
C3 0 0
C4 0 0
C5 -10.65 -4.63
C6 9.140E-06 4.380E-07
C7 2 2

R (using R=1 is equivalent to fitting the interaction parameters/R, w

1,2-DCE (1) DMSO (2)

alfa 0 0.3
0.3 0
Binary interactions (cal/mol) 0 -110.316
91.082 0

P experimental (kPa) 95.3

Experimental Experimental Experimental

x1 x2 T (K)
0 1 460.95
0.0748 0.9252 436
0.1307 0.8693 423
0.3107 0.6893 395
0.4286 0.5714 383
0.5197 0.4803 376
0.6433 0.3567 369
0.844 0.156 360
0.9253 0.0747 357
1 0 355.05

470
Temperature (K)

450

430

410
470

Temperature (K)
450

430

410

390

370

350
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
x1
sing the NRTL model

e are problem specifications.

re results of calculations.

Parameters for methanol(1)+water(2)

columns were calculated These two columns were calculated These 4 columns were calculated with array function n
ay function nrtl. with spreadsheet formulas.
lngamma(2) gamma(1) gamma(2) ge/(RT) he/(RT)
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511

0.2 0.3 0.4 0.5

Mole fraction of methanol0.6 0.7 0.8 0.9

r-liquid equilibrium data using Excel Solver

n to Chemical Engineering Thermodynamics, 6th edition, Mc-Graw-Hill, 2001 (reference to the data points available there).
r-liquid equilibrium data minimizing the summation of the squared difference between experimental and calculated pressures.

P1sat 84.562
P2sat 19.953

al data for the mixture. These 2 columns were calculated These final columns were calculated
with array function nrtl.
y2exp Pexp(kPa) lngamma1 lngamma2 gamma1
1 19.953 Err:511 Err:511 Err:511
0.4286 39.223 Err:511 Err:511 Err:511
0.3732 42.984 Err:511 Err:511 Err:511
0.3057 48.852 Err:511 Err:511 Err:511
0.2655 52.784 Err:511 Err:511 Err:511
0.2258 56.652 Err:511 Err:511 Err:511
0.1915 60.614 Err:511 Err:511 Err:511
0.1617 63.998 Err:511 Err:511 Err:511
0.1267 67.924 Err:511 Err:511 Err:511
0.1078 70.229 Err:511 Err:511 Err:511
0.0859 72.832 Err:511 Err:511 Err:511
0 84.562 Err:511 Err:511 Err:511

Observe the difference between experi

calculated values before and after para
Experimental
Calculated

.3 0.4 0.5 0.6 0.7 0.8 0.9 1

Mole fraction of methanol

quid equilibrium data using Excel Solver

r-liquid equilibrium data minimizing the summation of the squared difference between experimental and calculated temperatures.

Jer Lee, and Ho-mu Lin

Chloroethenes

T in Kelvin; saturation pressure in kPa

1,2-DCE: 1,2-dichloroethane
DMSO: dimethylsulfoxide

nt to fitting the interaction parameters/R, with unit in Kelvin)

Calculated Calculated Calculated Calculated Calculated

T (K) Psat1 (kPa) Psat2 (kPa) ln (gamma1) ln (gamma2)
461.85 1182.242 95.300 Err:511 Err:511
436.42 732.562 46.897 Err:511 Err:511
422.66 551.870 30.644 Err:511 Err:511
394.60 290.378 11.572 Err:511 Err:511
383.23 217.315 7.441 Err:511 Err:511
376.44 181.069 5.634 Err:511 Err:511
369.06 147.179 4.108 Err:511 Err:511
359.99 112.614 2.733 Err:511 Err:511
357.04 102.850 2.381 Err:511 Err:511
354.60 95.300 2.120 Err:511 Err:511

Experimental
Calculated
With the fitted parameters, the experimental and
Experimental
calculated values are undistinguishable in the
Calculated
phase diagram.

0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

x1
e calculated with array function nrtlxs.

ge/(RT)
he/(RT)
se/R

0.8 0.9 1

data points available there).

nd calculated pressures.

se final columns were calculated with spreadsheet formulas.

gamma2 Pcalc(kPa) deltaP deltaP^2 y1calc

Hint: use Solver to minimize the objective function cell

changing the two cells that correspond to the binary
interaction parameters of the NRTL model.

erve the difference between experimental and

ulated values before and after parameter fitting.
nd calculated temperatures.

Calculated Calculated Calculated

gamma1 gamma2 P (kPa) delta T (delta T)^2
Err:511 Err:511 Err:511 0.8972 0.80493
Err:511 Err:511 Err:511 0.4234 0.17928
Err:511 Err:511 Err:511 -0.3436 0.11803
Err:511 Err:511 Err:511 -0.3958 0.15663
Err:511 Err:511 Err:511 0.2320 0.05380
Err:511 Err:511 Err:511 0.4422 0.19556
Err:511 Err:511 Err:511 0.0556 0.00309
Err:511 Err:511 Err:511 -0.0079 0.00006
Err:511 Err:511 Err:511 0.0370 0.00137
Err:511 Err:511 Err:511 -0.4539 0.20601

Sum((delta^2)) 1.718777
Use Solver to minimize this cell by cha
In the minimization,impose the constraint
cells (grey cells) should be equal to zero.
ers, the experimental and
ndistinguishable in the
y2calc
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511

e function cell
delta P
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511

se Solver to minimize this cell by changing the blue cells

n the minimization,impose the constraint that all the deltaP
ells (grey cells) should be equal to zero.
Calculation of activity coefficients and excess properties using the UNIQUAC model

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Liquid-liquid equilibrium of the ternary mixture acetonitrile(1)+benzene(2)+n-heptane(3)

R T(K)
1 318.49
r 1.87 3.19 5.17
q 1.72 2.4 4.4
Binary interactions 0 60.28 23.71
89.57 0 -135.9
545.8 245.4 0

x1 x2 x3 lngama(1)
0.1311 0.033 0.8359 Err:511
0.91187173126508 0.01974239773325 0.06838587100168 Err:511

Parameter fitting in the UNIQUAC model from vapor-liquid equilibrium data using Excel So

Modified version of problem 12.1: Smith, van Ness, and Abbott, Introduction to Chemical Engineering Thermodynami

Objective:
Fit the binary interaction parameters of the UNIQUAC model using experimental vapor-liquid equilibrium data minimizing the s

methanol(1)+water(2)
R T(K) P1sat
1 333.15 P2sat
r 1.4311 0.92
q 1.432 1.4
Binary interactions 0 -213.69613994818 It is common to report UNIQUAC
358.550089418951 0 In this case, use R=1 in the spre

The first five columns are experimental data for the mixture.

x1exp x2exp y1exp y2exp

0 1 0 1
0.1686 0.8314 0.5714 0.4286
0.2167 0.7833 0.6268 0.3732
0.3039 0.6961 0.6943 0.3057
0.3681 0.6319 0.7345 0.2655
0.4461 0.5539 0.7742 0.2258
0.5282 0.4718 0.8085 0.1915
0.6044 0.3956 0.8383 0.1617
0.6804 0.3196 0.8733 0.1267
0.7255 0.2745 0.8922 0.1078
0.7776 0.2224 0.9141 0.0859
1 0 1 0

Isothermal flash calculation by direct minimization of the system's Gibbs free energy

A 10 mol/s stream of a mixture of methanol(1)+water(2), with mole fractions of 0.67 and 0.33, respectively,
is fed to a continuous separation vessel (flash) that operates at 333.15 K and 60 kPa.
Determine the flowrates and compositions in the liquid and vapor output streams from the separation vessel. Assum
(1) ideal vapor phase behavior;
(2) activity coefficient given by the UNIQUAC model with the parameters provided;
(3) Poynting factors and saturated liquid fugacity corrections are negligible.

methanol(1)+water(2)
R T(K) P1sat (kPa)
1 333.15 P2sat (kPa)
r 1.4311 0.92 P (kPa)
q 1.432 1.4
Binary interactions 0 -213.69613994818 It is common to report UNIQUAC
358.550089418951 0 In this case, use R=1 in the spre

Spreadsheet
Spreadsheet
formula formula
Methanol Water Total
Mole fraction (1)
Feed flow (mol/s) 6.7 3.3 10 0.67
Liquid out (mol/s) 2.38550382505431 2.24336530324091 4.62886912829522 0.5153534824461
Vapor out (mol/s) 4.31449617494569 1.05663469675909 5.37113087170478 0.8032751906446

Hints:
Liquid out flow to be calculated using Solver.
Vapor out is the feed flow minus the liquid out flow.

Isothermal mixing of two liquid streams

Two methanol(1)+water(2) streams, I and II, each with a flowrate of 1 mol/s and tempera
K, are continuously mixed. In stream I, the methanol mole fraction is 0.2 and, in stream II
0.6. The output stream from the mixer, stream III, is also at 333.15 K. Determine the heat
mixer.

Solution:

The global and component mass balances readily give that the flowrate of stream III is eq
and its methanol mole fraction is 0.4. Excess properties with UNIQUAC are calculated usin
spreadsheet functions.

Comment: since all streams are at the same temperature, the pure component heat capacities cancel in the energy balance (t

methanol(1)+water(2)
R T(K)
1 333.15
r 1.4311 0.92
q 1.432 1.4
Binary interactions 0 -213.69613994818 It is common to report UNIQUAC
358.550089418951 0 In this case, use R=1 in the spre

These 4 columns were calcula

x1 x2 Ge/(RT)
stream I 0.2 0.8 Err:511
stream II 0.6 0.4 Err:511
stream III 0.4 0.6 Err:511

Heat load (J/s) Err:511

Adiabatic mixing of two liquid streams

Two methanol(1)+water(2) streams, I and II, each with a flowrate of 1 mol/s and tempe
K, are continuously mixed in an adiabatic mixer. In stream I, the methanol mole fraction
stream II, it is equal to 0.6. Determine the temperature output stream from the mixer, s

Data: heat capacities for liquid methanol and water are equal to 79.5 and 75 J/(mol.K) ,

Solution:
Two methanol(1)+water(2) streams, I and II, each with a flowrate of 1 mol/s and tempe
K, are continuously mixed in an adiabatic mixer. In stream I, the methanol mole fraction
stream II, it is equal to 0.6. Determine the temperature output stream from the mixer, s

Data: heat capacities for liquid methanol and water are equal to 79.5 and 75 J/(mol.K) ,

Solution:

The global and component mass balances readily give that the flowrate of stream III is e
and its methanol mole fraction is 0.4. Excess properties with UNIQUAC are calculated u
spreadsheet functions. The energy balance is solved iteratively to find out the final tem

methanol(1)+water(2)
R T(K)
1 333.15
r 1.4311 0.92
q 1.432 1.4
Binary interactions 0 -213.69613994818 It is common to report UNIQUAC
358.550089418951 0 In this case, use R=1 in the spre

These 4 columns were calcula

x1 x2 ge/(RT)
stream I 0.2 0.8 Err:511
stream II 0.6 0.4 Err:511
stream III 0.4 0.6 Err:511

Reference T (K) 333.15

H(I) (J/s) Err:511
H(II) (J/s) Err:511

(H(I)+H(II)) (J/s) Err:511

Temperature (III) (K) 330

H(III) (J/s) Err:511

(H(III)-(H(I)+H(II))) (J/s) Err:511 Use Solver to zero this cell, by

changing the temperature of stream III.

Liquid-liquid equilibrium in the system sulfolane(1) + benzene (2) + n-heptane (3)

Original reference
Letcher, T.M., G.G. Redhi, S.E. Radloff, U. Domanska
Liquid-Liquid Equilibria of the Ternary Mixtures with Sulfolane at 303.15 K
J. Chem. Eng. Data 1996, 41, 634-638

sulfolane (1) benzene (2) n-heptane (3)

Molar volume (cm3/mol) 95.26 89.4 147.4
l (bulk factor) 1 1 0

Z (coordination number) 10

R (J/(mol.K)) T(K)
8.314 303.15

sulfolane (1) benzene (2) n-heptane (3)

r 2.7893 2.6177 4.3160
q 2.2314 2.0942 3.6528
Binary interactions 0 1926.46 717.84
(J/mol) 688.69 0 -277.39
12884.36 1926.77 0

Experimental Experimental
n-heptane rich phase Sulfolane rich phase
x1h x2h x3h x1s x2s
0.008 0.118 0.874 0.928 0.054
0.011 0.295 0.694 0.85 0.13
0.021 0.485 0.494 0.803 0.177
0.071 0.599 0.33 0.752 0.228
0.155 0.624 0.221 0.707 0.272
0.341 0.562 0.097 0.571 0.397

Data reorganization to plot tie-lines

x1 x2
0.008 0.118
0.928 0.054

0.011 0.295
0.85 0.13

0.021 0.485
0.803 0.177

0.071 0.599
0.752 0.228

0.155 0.624
0.707 0.272
0.341 0.562
0.571 0.397

0.9

0.8

0.7

Benzene
0.6

0.5

0.4

0.3

0.2

0.1

0
Letcher et al., 1996 0 0.1 0.2
UAC model

It is common to report UNIQUAC binary interaction parameters as a12/R, a21/R, etc… in Kelvin.
In this case, use R=1 in the spreadsheet; otherwise use units compatible with the aij values.

lngama(2) lngama(3) gama(1) gama(2) gama(3)

Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511

ata using Excel Solver

neering Thermodynamics, 6th edition, Mc-Graw-Hill, 2001 (reference to the data points available there).

um data minimizing the summation of the squared difference between experimental and calculated pressures.

84.562
19.953

mmon to report UNIQUAC binary interaction parameters as a12/R, a21/R, etc… in Kelvin.
case, use R=1 in the spreadsheet; otherwise use units compatible with the aij values.

These 2 columns were calculated These final columns were calculated with spreadsheet form
with array function uniquac.
Pexp(kPa) lngamma1 lngamma2 gamma1 gamma2
19.953 Err:511 Err:511 Err:511 Err:511
39.223 Err:511 Err:511 Err:511 Err:511
42.984 Err:511 Err:511 Err:511 Err:511
48.852 Err:511 Err:511 Err:511 Err:511
52.784 Err:511 Err:511 Err:511 Err:511
56.652 Err:511 Err:511 Err:511 Err:511
60.614 Err:511 Err:511 Err:511 Err:511
63.998 Err:511 Err:511 Err:511 Err:511
67.924 Err:511 Err:511 Err:511 Err:511
70.229 Err:511 Err:511 Err:511 Err:511
72.832 Err:511 Err:511 Err:511 Err:511
84.562 Err:511 Err:511 Err:511 Err:511

3, respectively,

eparation vessel. Assume:

84.562
19.953
60

mmon to report UNIQUAC binary interaction parameters as a12/R, a21/R, etc… in Kelvin.
case, use R=1 in the spreadsheet; otherwise use units compatible with the aij values.

Spreadsheet These 2 columns were calculated Spreadsheet

formula with array function uniquac. formula
Mole fraction (2) lngamma(1) lngamma(2) G/(RT)
0.33
0.484646517553873 Err:511 Err:511 Err:511
0.196724809355412 19.3281013303577
Liquid+vapor Err:511 Use Solver to minimize the total Gibbs
The liquid flowrates of methanol and w
variables in the solution procedure im
1 mol/s and temperature of 333.15
0.2 and, in stream II, it is equal to
Determine the heat load in the

te of stream III is equal to 2 mol/s

C are calculated using the

l in the energy balance (try to prove that) and are not necessary.

mmon to report UNIQUAC binary interaction parameters as a12/R, a21/R, etc… in Kelvin.
case, use R=1 in the spreadsheet; otherwise use units compatible with the aij values.

4 columns were calculated with array function uniquacxs. Spreadsheet

formula
He/(RT) Se/R Cpe/R He(J/mol)
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511

f 1 mol/s and temperature of 333.15

thanol mole fraction is 0.2 and, in
am from the mixer, stream III.

5 and 75 J/(mol.K) , respectively.

f 1 mol/s and temperature of 333.15
thanol mole fraction is 0.2 and, in
am from the mixer, stream III.

5 and 75 J/(mol.K) , respectively.

rate of stream III is equal to 2 mol/s

UAC are calculated using the
nd out the final temperature.

mmon to report UNIQUAC binary interaction parameters as a12/R, a21/R, etc… in Kelvin.
case, use R=1 in the spreadsheet; otherwise use units compatible with the aij values.

4 columns were calculated with array function uniquacxs. Spreadsheet

formula
he/(RT) se/R cpe/R he(J/mol)
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
r and q were computed from the molar volume and bulk factor

These values are used as feed flows in a flash-like calculation

Calculated Calculated: mole numbers in
Average mole fractions multiplied by 100 n-heptane rich phase
x3s n1 n2 n3 n1h
0.018 46.8 8.6 44.6 0.05663250034898
0.02 43.05 21.25 35.7 0.47387926269719
0.02 41.2 33.1 25.7 1.83048480951549
0.02 41.15 41.35 17.5 4.82501194394215
0.021 43.1 44.8 12.1 8.39418800750712
0.032 45.6 47.95 6.45 17.8253786794943
1

0.9

0.8

0.7 Experimental n-heptane rich

phase

0.6 Experimental sulfolane rich

phase
0.5 Calculated n-heptane rich
phase+UNIQUAC
0.4
Calculated sulfolane rich
phase
0.3
Experimental tie-lines

0.2 Calculated tie-lines

0.1

0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
Sulfolane
xgama(1) xgama(2) xgama(3)
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511

alculated with spreadsheet formulas.

Pcalc(kPa) deltaP deltaP^2 y1calc y2calc

Hint: use Solver to minimize the objective function cell

changing the two cells that correspond to the binary
interaction parameters of the UNIQUAC model.

lver to minimize the total Gibbs free energy/(RT).

uid flowrates of methanol and water are the independent
es in the solution procedure implemented here.
ted: mole numbers in Calculated: mole numbers in
ne rich phase sulfolane rich phase
n2h n3h n1s n2s n3s
5.87355770437484 43.9233228871 46.743367499651 2.726442295625 0.676677112902
14.639538105958 34.8314200803 42.576120737303 6.610461894042 0.868579919699
23.3238381199698 24.63702409639 39.369515190485 9.77616188003 1.062975903613
30.4257201539759 16.38368757836 36.324988056058 10.92427984602 1.116312421645
33.0560783683167 10.9562707769 34.705811992493 11.74392163168 1.1437292231
35.2684740723057 5.396578706694 27.774621320506 12.68152592769 1.053421293306
Calculated: mole fractions in Calculated: mole fractions in
n-heptane rich phase sulfolane rich phase
x1h x2h x3h x1s x2s x3s
0.00114 0.11782 0.88105 0.93214 0.05437 0.01349
0.00949 0.29311 0.69740 0.85058 0.13206 0.01735
0.03676 0.46843 0.49481 0.78412 0.19471 0.02117
0.09345 0.58925 0.31730 0.75105 0.22587 0.02308
0.16017 0.63076 0.20906 0.72921 0.24675 0.02403
0.30476 0.60298 0.09226 0.66911 0.30551 0.02538

Data reorganization to plot tie-lines

x1 x2
0.00114 0.11782
0.93214 0.05437

0.00949 0.29311
0.85058 0.13206

0.03676 0.46843
0.78412 0.19471

0.09345 0.58925
0.75105 0.22587

0.16017 0.63076
0.72921 0.24675
0.30476 0.60298
0.66911 0.30551
Calculated: ln(gamma) in Calculated: ln(gamma) in Calculated: n(i)*ln(x(i)*gamma(i))
n-heptane rich phase sulfolane rich phase n-heptane rich phase
1 2 3 1 2 3 1
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511 Err:511 Err:511
culated: n(i)*ln(x(i)*gamma(i)) in Calculated: n(i)*ln(x(i)*gamma(i)) in
eptane rich phase sulfolane rich phase
2 3 1 2 3
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Calculated: deltaG
Sum (n*ln(x*gamma) for all
components in all phases
Err:511 Use Solver to minimize this cell in each row by changing the blue cells of the same row.
Err:511
Err:511
Err:511
Err:511
Err:511
cells of the same row.
Calculation of activity coefficients and excess properties using the UNIFAC model

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

acetone(1)+n-pentane(2)
Example taken from Reid, R.C., J.M. Prausnitz and B. Poling, The Properties of Gases and Liquids, 4th edition, McGraw

CH3 CH2 CH3CO

r 0.9011 0.6744 1.6724
q 0.848 0.54 1.488
CH3 0 0 476.4
CH2 0 0 476.4
CH3CO 26.76 26.76 0
acetone 1 0 1 Group description of acetone: 1 CH3
n-pentane 2 3 0 Group description of n-pentane: 2 CH

R 1 The unit of R should be compatible with the unit of the UNIFAC binary intera
T (K) 307

These 2 columns were calculated These two columns were calculate

with array function unifac. with spreadsheet formulas.
x1 x2 lngama(1) lngama(2) gama(1)
0.047 0.953 Err:511 Err:511 Err:511

diethylamine(1)+n-heptane(2)
Example taken from Smith, J.M., H.C. Van Ness, and M.M. Abbott, Introduction to Chemical Engineering Thermodynam

CH3 CH2 CH2NH

r 0.9011 0.6744 1.207
q 0.848 0.54 0.936
CH3 0 0 255.7
CH2 0 0 255.7
CH2NH 65.33 65.33 0
diethylamine 2 1 1 Group description of diethylamine: 2
n-heptane 2 5 0 Group description of n-heptane: 2 CH

R 1 The unit of R should be compatible with the unit of the UNIFAC binary intera
T (K) 308.15

These 2 columns were calculated These two columns were calculate

with array function unifac. with spreadsheet formulas.
x1 x2 lngama(1) lngama(2) gama(1)
0.4 0.6 Err:511 Err:511 Err:511
FAC model

quids, 4th edition, McGraw-Hill, pages 322-332.

scription of acetone: 1 CH3 and 1 CH3CO.

scription of n-pentane: 2 CH3 and 3 CH2.

of the UNIFAC binary interaction parameters. These are normally given in Kelvin. In this case, use R=1, as done here.

wo columns were calculated These 4 columns were calculated with array function unifacxs.
eadsheet formulas.
gama(2) gert hert ser cper
Err:511 Err:511 Err:511 Err:511 Err:511

There is a small discrepancy with respect to the values reported in the Reid et al., possibly caused by round-offs.

ngineering Thermodynamics, 6th edition, McGraw-Hill, pages 767-769.

scription of diethylamine: 2 CH3, 1 CH2, and 1 CH2NH

scription of n-heptane: 2 CH3 and 5 CH2.

of the UNIFAC binary interaction parameters. These are normally given in Kelvin. In this case, use R=1, as done here.
wo columns were calculated These 4 columns were calculated with array function unifacxs.
eadsheet formulas.
gama(2) gert hert ser cper
Err:511 Err:511 Err:511 Err:511 Err:511

There is perfect agreement with the activity coefficient values reported by Smith et al.
as done here.

aused by round-offs.

as done here.
Calculation of activity coefficients and excess properties using the Modified UNIFAC model

References:

Weidlich, U. and J. Gmehling

A Modified UNIFAC Model. 1. Prediction of VLE, hE, and gamma at infinite dilution
Ind. Eng. Chem. Res. 1987, 26, 1372-1381.

Jakob, A., H. Grensemann, J. Lohmann, J. Gmehling

Further Development of Modified UNIFAC (Dortmund): Revision and Extension 5
Ind. Eng. Chem. Res. 2006, 45, 7924-7933

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

n-pentane(1)+ benzene(2)

CH3 CH2 ACH

r 0.6325 0.6325 0.3763
q 1.0608 0.7081 0.4321
CH3 0 0 114.2
a CH2 0 0 114.2
ACH 16.07 16.07 0
CH3 0 0 0.0933
b CH2 0 0 0.0933
ACH -0.2998 -0.2998 0
CH3 0 0 0
c CH2 0 0 0
ACH 0 0 0
n-pentane 2 3 0 Group description of n-pentane: 2 CH3 and 3 CH2.
benzene 0 0 6 Group description of benzene: 6 ACH.

R 1 The unit of R should be compatible with the unit of the Modified UNIFAC b
T (K) 298.15

These 4 columns were calculated with Spreadsheet

array function modunifacxs. formula
x1 x2 gert hert ser cper he(J/mol)
0 1 Err:511 Err:511 Err:511 Err:511 Err:511
0.02 0.98 Err:511 Err:511 Err:511 Err:511 Err:511
0.04 0.96 Err:511 Err:511 Err:511 Err:511 Err:511
0.06 0.94 Err:511 Err:511 Err:511 Err:511 Err:511
0.08 0.92 Err:511 Err:511 Err:511 Err:511 Err:511
0.1 0.9 Err:511 Err:511 Err:511 Err:511 Err:511
0.12 0.88 Err:511 Err:511 Err:511 Err:511 Err:511
0.14 0.86 Err:511 Err:511 Err:511 Err:511 Err:511
0.16 0.84 Err:511 Err:511 Err:511 Err:511 Err:511
0.18 0.82 Err:511 Err:511 Err:511 Err:511 Err:511
0.2 0.8 Err:511 Err:511 Err:511 Err:511 Err:511
0.22 0.78 Err:511 Err:511 Err:511 Err:511 Err:511
0.24 0.76 Err:511 Err:511 Err:511 Err:511 Err:511
0.26 0.74 Err:511 Err:511 Err:511 Err:511 Err:511
0.28 0.72 Err:511 Err:511 Err:511 Err:511 Err:511
0.3 0.7 Err:511 Err:511 Err:511 Err:511 Err:511
0.32 0.68 Err:511 Err:511 Err:511 Err:511 Err:511
0.34 0.66 Err:511 Err:511 Err:511 Err:511 Err:511
0.36 0.64 Err:511 Err:511 Err:511 Err:511 Err:511
0.38 0.62 Err:511 Err:511 Err:511 Err:511 Err:511
0.4 0.6 Err:511 Err:511 Err:511 Err:511 Err:511
0.42 0.58 Err:511 Err:511 Err:511 Err:511 Err:511
0.44 0.56 Err:511 Err:511 Err:511 Err:511 Err:511
0.46 0.54 Err:511 Err:511 Err:511 Err:511 Err:511
0.48 0.52 Err:511 Err:511 Err:511 Err:511 Err:511
0.5 0.5 Err:511 Err:511 Err:511 Err:511 Err:511
0.52 0.48 Err:511 Err:511 Err:511 Err:511 Err:511
0.54 0.46 Err:511 Err:511 Err:511 Err:511 Err:511
0.56 0.44 Err:511 Err:511 Err:511 Err:511 Err:511
0.58 0.42 Err:511 Err:511 Err:511 Err:511 Err:511
0.6 0.4 Err:511 Err:511 Err:511 Err:511 Err:511
0.62 0.38 Err:511 Err:511 Err:511 Err:511 Err:511
0.64 0.36 Err:511 Err:511 Err:511 Err:511 Err:511
0.66 0.34 Err:511 Err:511 Err:511 Err:511 Err:511
0.68 0.32 Err:511 Err:511 Err:511 Err:511 Err:511
0.7 0.3 Err:511 Err:511 Err:511 Err:511 Err:511
0.72 0.28 Err:511 Err:511 Err:511 Err:511 Err:511
0.74 0.26 Err:511 Err:511 Err:511 Err:511 Err:511
0.76 0.24 Err:511 Err:511 Err:511 Err:511 Err:511
0.78 0.22 Err:511 Err:511 Err:511 Err:511 Err:511
0.8 0.2 Err:511 Err:511 Err:511 Err:511 Err:511
0.82 0.18 Err:511 Err:511 Err:511 Err:511 Err:511
0.84 0.16 Err:511 Err:511 Err:511 Err:511 Err:511
0.86 0.14 Err:511 Err:511 Err:511 Err:511 Err:511
0.88 0.12 Err:511 Err:511 Err:511 Err:511 Err:511
0.9 0.1 Err:511 Err:511 Err:511 Err:511 Err:511
0.92 0.08 Err:511 Err:511 Err:511 Err:511 Err:511
0.94 0.06 Err:511 Err:511 Err:511 Err:511 Err:511
0.96 0.04 Err:511 Err:511 Err:511 Err:511 Err:511
0.98 0.02 Err:511 Err:511 Err:511 Err:511 Err:511
1 0 Err:511 Err:511 Err:511 Err:511 Err:511
Excess enthalpy (J/mol)

0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
10

0
Natural logarithm of activity coefficient 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
Mole fraction of n-pentane

n-pentane
10
benzene

0 Mole fraction of n-pentane

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
e Modified UNIFAC model (Dortmund version)

on of n-pentane: 2 CH3 and 3 CH2.

on of benzene: 6 ACH.

h the unit of the Modified UNIFAC binary interaction parameters. These are normally given in Kelvin. In this case, use R=1, as done here.

These 2 columns were calculated

with array function modunifac.
lngamma1 lngamma2
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
7 0.8 0.9 1
ase, use R=1, as done here.
Physical properties from the van der Waals equation of state

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Normal boiling temperature of n-hexane (i.e., at a pressure of 1 atm = 1.0132 bar)

R 83.14
T(K) 300 Compute using Solver

n-hexane
Tc(K) 507.5
Pc(bar) 30.1
kij 0

Computed with Computed with

function function
vdwlnphil vdwlnphiv
x Pespec lnphiL lnphiV
1 1.0132 Err:511 Err:511

Example of sound speed calculation

Use SI units throught the calculation

Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
kij 0
Temperature (K) 300
Molar mass (g/mol) 28.013
Molar mass (kg/mol) 0.028013
Ideal gas cp coefficients

R (SI) 8.314

Spreadsheet Spreadsheet
formula formula
x Pespec (bar) Pespec(Pa) cpig (J/(mol.K))
1 1.0132 101320 2.92E+01
1 1.5132 151320 2.92E+01
1 2.0132 201320 2.92E+01
1 2.5132 251320 2.92E+01
1 3.0132 301320 2.92E+01
1 3.5132 351320 2.92E+01
1 4.0132 401320 2.92E+01
1 4.5132 451320 2.92E+01
1 5.0132 501320 2.92E+01
1 5.5132 551320 2.92E+01
1 6.0132 601320 2.92E+01
1 6.5132 651320 2.92E+01
1 7.0132 701320 2.92E+01
1 7.5132 751320 2.92E+01
1 8.0132 801320 2.92E+01
1 8.5132 851320 2.92E+01
1 9.0132 901320 2.92E+01
1 9.5132 951320 2.92E+01
1 10.0132 1001320 2.92E+01
1 10.5132 1051320 2.92E+01
1 11.0132 1101320 2.92E+01
1 11.5132 1151320 2.92E+01
1 12.0132 1201320 2.92E+01
1 12.5132 1251320 2.92E+01
1 13.0132 1301320 2.92E+01
1 13.5132 1351320 2.92E+01
1 14.0132 1401320 2.92E+01
1 14.5132 1451320 2.92E+01
1 15.0132 1501320 2.92E+01
1 15.5132 1551320 2.92E+01
1 16.0132 1601320 2.92E+01
1 16.5132 1651320 2.92E+01
1 17.0132 1701320 2.92E+01
1 17.5132 1751320 2.92E+01
1 18.0132 1801320 2.92E+01
1 18.5132 1851320 2.92E+01
1 19.0132 1901320 2.92E+01
1 19.5132 1951320 2.92E+01
1 20.0132 2001320 2.92E+01
1 20.5132 2051320 2.92E+01
1 21.0132 2101320 2.92E+01
1 21.5132 2151320 2.92E+01
1 22.0132 2201320 2.92E+01
1 22.5132 2251320 2.92E+01
1 23.0132 2301320 2.92E+01
1 23.5132 2351320 2.92E+01
1 24.0132 2401320 2.92E+01
1 24.5132 2451320 2.92E+01
1 25.0132 2501320 2.92E+01
1 25.5132 2551320 2.92E+01
m = 1.0132 bar)

Computed with
spreadsheet
function.
deltalnphi
Err:511 Use Solver to zero this cell by changing T.

31.15 -1.36E-02 2.68E-05 -1.17E-08

These 4 columns were calculated with array function svsoundspeedv. These columns were calculated using spreads
rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K) dpdt (Pa/K) cpresidual (J/(mol.K))
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
mns were calculated using spreadsheet formulas
cp (J/(mol.K)) cv (J/(mol.K)) gama=cp/cv sound speed (m/s)
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Physical properties from the Redlich-Kwong equation of state

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Normal boiling temperature of n-hexane (i.e., at a pressure of 1 atm = 1.0132 bar)

R 83.14
T(K) 300 Compute using Solver

n-hexane
Tc(K) 507.5
Pc(bar) 30.1
kij 0

Computed wit Computed with Computed with

function function spreadsheet
rklnphil rklnphiv function.
x Pespec lnphiL lnphiV deltalnphi
1 1.0132 Err:511 Err:511 Err:511

Example of sound speed calculation

Example of sound speed calculation
Use SI units throught the calculation
Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
kij 0
Temperature (K) 300
Molar mass (g/mol) 28.013
Molar mass (kg/mol) 0.028013
Ideal gas cp coefficients 31.15

R (SI) 8.314

Spreadsheet Spreadsheet These 4 columns were calculated

formula formula
x Pespec (bar) Pespec(Pa) cpig (J/(mol.K)) rho (mol/m3)
1 1.0132 101320 2.92E+01 Err:511
1 1.5132 151320 2.92E+01 Err:511
1 2.0132 201320 2.92E+01 Err:511
1 2.5132 251320 2.92E+01 Err:511
1 3.0132 301320 2.92E+01 Err:511
1 3.5132 351320 2.92E+01 Err:511
1 4.0132 401320 2.92E+01 Err:511
1 4.5132 451320 2.92E+01 Err:511
1 5.0132 501320 2.92E+01 Err:511
1 5.5132 551320 2.92E+01 Err:511
1 6.0132 601320 2.92E+01 Err:511
1 6.5132 651320 2.92E+01 Err:511
1 7.0132 701320 2.92E+01 Err:511
1 7.5132 751320 2.92E+01 Err:511
1 8.0132 801320 2.92E+01 Err:511
1 8.5132 851320 2.92E+01 Err:511
1 9.0132 901320 2.92E+01 Err:511
1 9.5132 951320 2.92E+01 Err:511
1 10.0132 1001320 2.92E+01 Err:511
1 10.5132 1051320 2.92E+01 Err:511
1 11.0132 1101320 2.92E+01 Err:511
1 11.5132 1151320 2.92E+01 Err:511
1 12.0132 1201320 2.92E+01 Err:511
1 12.5132 1251320 2.92E+01 Err:511
1 13.0132 1301320 2.92E+01 Err:511
1 13.5132 1351320 2.92E+01 Err:511
1 14.0132 1401320 2.92E+01 Err:511
1 14.5132 1451320 2.92E+01 Err:511
1 15.0132 1501320 2.92E+01 Err:511
1 15.5132 1551320 2.92E+01 Err:511
1 16.0132 1601320 2.92E+01 Err:511
1 16.5132 1651320 2.92E+01 Err:511
1 17.0132 1701320 2.92E+01 Err:511
1 17.5132 1751320 2.92E+01 Err:511
1 18.0132 1801320 2.92E+01 Err:511
1 18.5132 1851320 2.92E+01 Err:511
1 19.0132 1901320 2.92E+01 Err:511
1 19.5132 1951320 2.92E+01 Err:511
1 20.0132 2001320 2.92E+01 Err:511
1 20.5132 2051320 2.92E+01 Err:511
1 21.0132 2101320 2.92E+01 Err:511
1 21.5132 2151320 2.92E+01 Err:511
1 22.0132 2201320 2.92E+01 Err:511
1 22.5132 2251320 2.92E+01 Err:511
1 23.0132 2301320 2.92E+01 Err:511
1 23.5132 2351320 2.92E+01 Err:511
1 24.0132 2401320 2.92E+01 Err:511
1 24.5132 2451320 2.92E+01 Err:511
1 25.0132 2501320 2.92E+01 Err:511
1 25.5132 2551320 2.92E+01 Err:511
Use Solver to zero this cell by changing T.

-1.36E-02 2.68E-05 -1.17E-08

e 4 columns were calculated with array function svsoundspeedv. These columns were calculated using spreadsheet formu

dpdrho (Pa/(mol/m3)) cprr (K) dpdt (Pa/K) cpresidual (J/(mol.K)) cp (J/(mol.K))

Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
ed using spreadsheet formulas

cv (J/(mol.K)) gama=cp/cv sound speed (m/s)

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications

Other numeric cells are results of calculations.

Normal boiling temperature of n-hexane (i.e., at a pressure of 1 atm = 1.0132 bar)

R 83.14
T(K) 300 Compute using Solver

n-hexane
Tc(K) 507.5
Pc(bar) 30.1
omega 0.299
kij 0

x Pespec
1 1.0132

Example of sound speed calculation

Use SI units throught the calculation

Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
omega 0.039
kij 0
Temperature (K)
Molar mass (g/mol)
Molar mass (kg/mol)
Ideal gas cp coefficients

R (SI)
x Pespec (bar)
1 1.0132
1 1.5132
1 2.0132
1 2.5132
1 3.0132
1 3.5132
1 4.0132
1 4.5132
1 5.0132
1 5.5132
1 6.0132
1 6.5132
1 7.0132
1 7.5132
1 8.0132
1 8.5132
1 9.0132
1 9.5132
1 10.0132
1 10.5132
1 11.0132
1 11.5132
1 12.0132
1 12.5132
1 13.0132
1 13.5132
1 14.0132
1 14.5132
1 15.0132
1 15.5132
1 16.0132
1 16.5132
1 17.0132
1 17.5132
1 18.0132
1 18.5132
1 19.0132
1 19.5132
1 20.0132
1 20.5132
1 21.0132
1 21.5132
1 22.0132
1 22.5132
1 23.0132
1 23.5132
1 24.0132
1 24.5132
1 25.0132
1 25.5132

Effect of external fields (gravitational and centrifugal) on phase equilibrium.

When a substance (or mixture) is present in a large system with depths of hundreds of meters the effect of position
This is formulated by modifying the formula for the fugacity (ln fug (CO2)) in the table below) to account for the effe

R (bar.cm3/(mol.K)) 83.14
T(K) 333

R (for gravitational and centrifugal fields) 8314

Gravity acceleration (m/s^2) 9.81
Radial speed (radians/s) 0

CO2
Molar mass 44
Tc(K) 304.1
Pc(bar) 73.8
omega 0.239
kij 0

The CO2 pressure is specified at level 0 m. Find its pressure 200 m below.

Level (m) Radial position (m) x(CO2)

0 0 1
-200 0 1

Isenthalpic expansion

The expansion of a fluid stream (pure substance or mixture) from a high pressure to a low pressure condition in a p

Consider the expansion of a Nitrogen stream, initially at 250 K and 100 bar, to a final condition at 10 bar, and deter
Use SI units throught the calculation
Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
omega 0.039
kij 0

(T^0) coefficient (T^1) coefficient

Ideal gas cp coefficients (cp in J/(mol.K)) 31.15 -1.36E-02
R (J/(mol.K)) 8.314

Reference T (K) for enthalpy calculations 300

Mole fraction Pressure (Pascal)

Before the valve 1 10000000
After the valve 1 1000000

Isentropic expansion

The expansion of a fluid stream (pure substance or mixture) from a high pressure to a low pressure condition in a p

Consider the expansion of a Nitrogen stream, initially at 250 K and 100 bar, to a final condition at 70 bar, and deter

Use SI units throught the calculation

Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
omega 0.039
kij 0

(T^0) coefficient (T^1) coefficient

Ideal gas cp coefficients (cp in J/(mol.K)) 31.15 -1.36E-02
R (J/(mol.K)) 8.314

Reference T (K) for entropy calculations 300

Reference P (Pascal) for entropy calculations 100000
Mole fraction Pressure (Pascal)
Before the equipment 1 10000000
After the equipment 1 7000000

Observe that the final temperatures of the isenthalpic and isentropic expansions are similar (about 226 K),
even though the specified final pressures are very different. Try to undestand this by looking at a PH diagram.
n of state

h as this one are problem specifications.

meric cells are results of calculations.

tm = 1.0132 bar)

using Solver

Computed with Computed with Computed with

function function spreadsheet
srklnphil srklnphiv function.
lnphiL lnphiV deltalnphi
Err:511 Err:511 Err:511 Use Solver to zero this cell by changing T.

300
28.013
0.028013
cp coefficients 31.15 -1.36E-02 2.68E-05

8.314
Spreadsheet Spreadsheet These 4 columns were calculated with array function srksoundspeedv.
formula formula
Pespec(Pa) cpig (J/(mol.K)) rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K)
101320 2.92E+01 Err:511 Err:511 Err:511
151320 2.92E+01 Err:511 Err:511 Err:511
201320 2.92E+01 Err:511 Err:511 Err:511
251320 2.92E+01 Err:511 Err:511 Err:511
301320 2.92E+01 Err:511 Err:511 Err:511
351320 2.92E+01 Err:511 Err:511 Err:511
401320 2.92E+01 Err:511 Err:511 Err:511
451320 2.92E+01 Err:511 Err:511 Err:511
501320 2.92E+01 Err:511 Err:511 Err:511
551320 2.92E+01 Err:511 Err:511 Err:511
601320 2.92E+01 Err:511 Err:511 Err:511
651320 2.92E+01 Err:511 Err:511 Err:511
701320 2.92E+01 Err:511 Err:511 Err:511
751320 2.92E+01 Err:511 Err:511 Err:511
801320 2.92E+01 Err:511 Err:511 Err:511
851320 2.92E+01 Err:511 Err:511 Err:511
901320 2.92E+01 Err:511 Err:511 Err:511
951320 2.92E+01 Err:511 Err:511 Err:511
1001320 2.92E+01 Err:511 Err:511 Err:511
1051320 2.92E+01 Err:511 Err:511 Err:511
1101320 2.92E+01 Err:511 Err:511 Err:511
1151320 2.92E+01 Err:511 Err:511 Err:511
1201320 2.92E+01 Err:511 Err:511 Err:511
1251320 2.92E+01 Err:511 Err:511 Err:511
1301320 2.92E+01 Err:511 Err:511 Err:511
1351320 2.92E+01 Err:511 Err:511 Err:511
1401320 2.92E+01 Err:511 Err:511 Err:511
1451320 2.92E+01 Err:511 Err:511 Err:511
1501320 2.92E+01 Err:511 Err:511 Err:511
1551320 2.92E+01 Err:511 Err:511 Err:511
1601320 2.92E+01 Err:511 Err:511 Err:511
1651320 2.92E+01 Err:511 Err:511 Err:511
1701320 2.92E+01 Err:511 Err:511 Err:511
1751320 2.92E+01 Err:511 Err:511 Err:511
1801320 2.92E+01 Err:511 Err:511 Err:511
1851320 2.92E+01 Err:511 Err:511 Err:511
1901320 2.92E+01 Err:511 Err:511 Err:511
1951320 2.92E+01 Err:511 Err:511 Err:511
2001320 2.92E+01 Err:511 Err:511 Err:511
2051320 2.92E+01 Err:511 Err:511 Err:511
2101320 2.92E+01 Err:511 Err:511 Err:511
2151320 2.92E+01 Err:511 Err:511 Err:511
2201320 2.92E+01 Err:511 Err:511 Err:511
2251320 2.92E+01 Err:511 Err:511 Err:511
2301320 2.92E+01 Err:511 Err:511 Err:511
2351320 2.92E+01 Err:511 Err:511 Err:511
2401320 2.92E+01 Err:511 Err:511 Err:511
2451320 2.92E+01 Err:511 Err:511 Err:511
2501320 2.92E+01 Err:511 Err:511 Err:511
2551320 2.92E+01 Err:511 Err:511 Err:511

quilibrium.

undreds of meters the effect of position on properties is relevant.

the table below) to account for the effect of the gravitational field.

Function Spreadsheet Spreadsheet

srklnphiv formula formula
Pespec (bar) lnphiv (CO2) ln fug (CO2) Function This function is the difference betw
8 Err:511 Err:511
8.26677627857757 Err:511 Err:511 Err:511 Use Solver to zero this cell
Compute using
Solver

ssure to a low pressure condition in a perfectly insulated valve (throtlting) is an isenthalpic process.

to a final condition at 10 bar, and determine its final temperature.

(T^2) coefficient (T^3) coefficient
2.68E-05 -1.17E-08

Spreadsheet These 4 columns were calculated with array function srkresv.

formula
Temperature (K) Ideal gas h (J/mol) gr/(RT) hr/(RT) sr/R
250 -1460.28 Err:511 Err:511 Err:511
250.00 -1460.28 Err:511 Err:511 Err:511
Compute using
Solver

ssure to a low pressure condition in a perfectly insulated reversible turbine is an isentropic process.

to a final condition at 70 bar, and determine its final temperature.

(T^2) coefficient (T^3) coefficient

2.68E-05 -1.17E-08

Spreadsheet These 4 columns were calculated with array function srkresv.

formula
Temperature (K) Ideal gas s (J/(mol.K)) gr/(RT) hr/(RT) sr/R
250 -43.61 Err:511 Err:511 Err:511
250.00 -40.65 Err:511 Err:511 Err:511
Compute using
Solver

ions are similar (about 226 K),

d this by looking at a PH diagram.
y changing T.

-1.17E-08
nction srksoundspeedv. These columns were calculated using spreadsheet formulas

dpdt (Pa/K) cpresidual (J/(mol.K)) cp (J/(mol.K)) cv (J/(mol.K))

Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511

nction is the difference between ln fug values at two different positions.

ver to zero this cell

nction srkresv. Spreadsheet Spreadsheet
formula formula
cpr/R Residual h (J/mol) Molar h (J/mol)
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511

Delta h (J/mol) Err:511 Use Solver to zero this cell

The flowrates before and after the valve are equal (steady-state assumption).
Therefore, if the enthalpies are equal, the molar enthalpies must be equal.

Hint: use Solver to zero the Delta h cell by

changing the temperature after the valve.

nction srkresv. Spreadsheet Spreadsheet

formula formula
cpr/R Residual s (J/(mol.K)) Molar s (J/(mol.K))
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511

Delta s (J/(mol.K)) Err:511 Use Solver to zero this cell

The flowrates before and after the valve are equal (steady-state assumption).

Hint: use Solver to zero the Delta s cell by

changing the temperature after the valve.

Therefore, if the entropies are equal, the molar entropies must be equal.
gama=cp/cv sound speed (m/s)
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
Err:511 Err:511
ssumption).
ssumption).

ust be equal.
Physical properties from the Peng-Robinson equation of state

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Normal boiling temperature of n-hexane (i.e., at a pressure of 1 atm = 1.0132 bar)

R 83.14
T(K) 300 Compute using Solver

n-hexane
Tc(K) 507.5
Pc(bar) 30.1
omega 0.299
kij 0

Computed with
function
prlnphil
x Pespec lnphiL
1 1.0132 Err:511

Example of sound speed calculation

Use SI units throught the calculation

Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
omega 0.039
kij 0
Temperature (K) 300
Molar mass (g/mol) 28.013
Molar mass (kg/mol) 0.028013
Ideal gas cp coefficients

R (SI) 8.314

Spreadsheet
formula
x Pespec (bar) Pespec(Pa)
1 1.0132 101320
1 1.5132 151320
1 2.0132 201320
1 2.5132 251320
1 3.0132 301320
1 3.5132 351320
1 4.0132 401320
1 4.5132 451320
1 5.0132 501320
1 5.5132 551320
1 6.0132 601320
1 6.5132 651320
1 7.0132 701320
1 7.5132 751320
1 8.0132 801320
1 8.5132 851320
1 9.0132 901320
1 9.5132 951320
1 10.0132 1001320
1 10.5132 1051320
1 11.0132 1101320
1 11.5132 1151320
1 12.0132 1201320
1 12.5132 1251320
1 13.0132 1301320
1 13.5132 1351320
1 14.0132 1401320
1 14.5132 1451320
1 15.0132 1501320
1 15.5132 1551320
1 16.0132 1601320
1 16.5132 1651320
1 17.0132 1701320
1 17.5132 1751320
1 18.0132 1801320
1 18.5132 1851320
1 19.0132 1901320
1 19.5132 1951320
1 20.0132 2001320
1 20.5132 2051320
1 21.0132 2101320
1 21.5132 2151320
1 22.0132 2201320
1 22.5132 2251320
1 23.0132 2301320
1 23.5132 2351320
1 24.0132 2401320
1 24.5132 2451320
1 25.0132 2501320
1 25.5132 2551320

Bubble temperature of n-hexane + pseudocomponent (hydrocarbon of 11.6 carbon atoms) (i.e., at

R 83.14
T(K) 366.500598277624 Compute using Solver
P (bar) 1.0132
C atoms 11.6

n-hexane pseudocomponent
Tc(K) 507.5 Err:511 calculated using Whitson interpolation tab
Pc(bar) 30.1 Err:511 calculated using Whitson interpolation tab
omega 0.299 Err:511 calculated using Whitson interpolation tab
kij 0.00 0.00
0.00 0.00

Mole fraction 1 Mole fraction 2 ln phi1

Liquid 0.5 0.5 Err:511
Vapor 0.981366963405231 0.0186330365947691 Err:511

Advanced example

Phase equilibrium of a semicontinuous mixture

Assumption: the probability density distribution function of the continuous family is a decaying exponential function

Characterization of the continuous fraction

Cm 7 Cm: minimum number of Carbon atoms in a s
CM 45 CM: maximum number of Carbon atoms in a
MW 170 MW: average molar mass
eta 6.5
phi 45.5
CN 12.4285714285714 CN: average number of atoms of carbon in th

delta 6.51472634196551

Find delta -7.800980925121E-08 Use Solver to zero this by cell changing delta.

D 0.167044265178603

C 0.495481056327553

Shape of the probability distribution function

Plot of the probability density function.

I F(I)
6.5 0.167292101946369
7 0.15388710749312
7.5 0.141556245495624
8 0.130213446501444
8.5 0.119779537740768
9 0.110181690500242
9.5 0.101352911778347
10 0.0932315766740458
10.5 0.0857609982448032
11 0.078889031831558
11.5 0.0725677110888538
Probability density

12 0.0667529131796083
12.5 0.0614040507975833 0.18
13 0.056483788867869
13.5 0.0519577839479537 0.16
14 0.0477944445103951
14.5 0.0439647104338675 0.14
15 0.040441850163431
15.5 0.0372012741242006
0.12
16 0.034220363086042
16.5 0.0314783102812802
0.1
17 0.0289559761734006
17.5 0.0266357548630289
0.08
18 0.0245014511987026
18.5 0.0225381677346665
19 0.0207322007466587
0.06
19.5 0.0190709445798751
20 0.0175428036614629 0.04

0.02

1.04083408558608E-17
0
-0.02
0.08

0.06

0.04
20.5 0.016137111563388
21 0.0148440565507371
0.02
21.5 0.0136546130957787
22 0.0125604788797543 1.04083408558608E-17
22.5 0.0115540168426688 0
23 0.0106282018765901 -0.02
23.5 0.00977657179037499
24 0.0089931822035565
24.5 0.00827256505455102
25 0.00760969043357253
25.5 0.00699993147384782
26 0.00643903205607297
26.5 0.0059230771006883
27 0.0054484652406117
27.5 0.00501188368368601
28 0.00461028508938013
28.5 0.00424086629834332
29 0.0039010487663448
29.5 0.00358846056602756
30 0.00330091983084855
30.5 0.00303641952564389
31 0.00279311343751763
31.5 0.00256930328927034
32 0.00236342688541941
32.5 0.00217404720807001
33 0.00199984238652606
33.5 0.00183959647062893
34 0.00169219094342178
34.5 0.00155659691389803
35 0.0014318679353391
35.5 0.00131713339911361
36 0.00121159245782657
36.5 0.00111450843540231
37 0.00102520368508328
37.5 0.000943054859453741
38 0.00086748855947301
38.5 0.000797977332148481
39 0.00073403598891222
39.5 0.000675218219003348
40 0.000621113474217645
40.5 0.000571344103279891
41 0.000525562715836875
41.5 0.000483449757671725
42 0.000444711280214544
42.5 0.000409076888780547
43 0.000376297855214376
43.5 0.000346145381766854
44 0.000318409004086037
44.5 0.000292895122175425
45 0.000269425649065429
45.5 0.000247836767765804

Phase equilibrium example

A more sophisticated integration method can be used (e.g., Rochocz, G.L., M. Castier, and S.I. Sandler,
Critical point calculations for semi-continuous mixtures, Fluid Phase Equilibria 139 (1997) 137-153) but
here we use Simpson's rule to locate the collocation points.

# of intervals 6
phi-eta 39
deltan 6.5

Pseudo-components 1 2 3
I 6.5 13 19.5

Tc(K) Err:511 Err:511 Err:511

Pc(bar) Err:511 Err:511 Err:511
omega Err:511 Err:511 Err:511
kij 0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0

R (bar.cm3/(mol.K)) 83.14
T (K) 601.368684778884
P (bar) 1.0132

Assumption: liquid phase follows the distribution above, as in a dew point calculation

Mole fraction 1 Mole fraction 2 Mole fraction 3

Vapor 0.429811800583024 0.42259158735435 0.1426820137935

Renormalized vapor 0.4031578190088 0.396385353911048 0.1338338533627

Liquid 0.0123 0.0759 0.1341
ecifications.

= 1.0132 bar)

Computed with Computed with

function spreadsheet
prlnphiv function.
lnphiV deltalnphi
Err:511 Err:511 Use Solver to zero this cell by changing T.
31.15 -1.36E-02 2.68E-05 -1.17E-08

Spreadsheet These 4 columns were calculated with array function svsoundspeedv.

formula
cpig (J/(mol.K)) rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K) dpdt (Pa/K)
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511
2.92E+01 Err:511 Err:511 Err:511 Err:511

of 11.6 carbon atoms) (i.e., at a pressure of 1 atm = 1.0132 bar)

ated using Whitson interpolation tables

ated using Whitson interpolation tables
ated using Whitson interpolation tables

ln phi2 (ln x + lnphi +lnP) 1 (ln x + lnphi +lnP) 2

Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
delta Err:511 Err:511
delta^2 Err:511 Err:511

Total delta^2 Err:511

y is a decaying exponential function with finite lower and upper limits of the independent variable

nimum number of Carbon atoms in a substance of the continuous fraction

aximum number of Carbon atoms in a substance of the continuous fraction
verage molar mass
erage number of atoms of carbon in the molecules of the continuous family
Probability density

0.18

0.16

0.14

0.12

0.1

0.08

0.06

0.04

0.02

1.04083408558608E-17
0 5 10 15 20 25 30 35 40 45 50
-0.02
0.08

0.06

0.04

0.02

1.04083408558608E-17
0 5 10 15 20 25 30 35 40 45 50
-0.02
Number of Carbon atoms
and S.I. Sandler,
7) 137-153) but

4 5 6 7
26 32.5 39 45.5 (approximated as 45 because this
45
Err:511 Err:511 Err:511 Err:511 Critical properties and acentric fa
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0

Mole fraction 4 Mole fraction 5 Mole fraction 6 Mole fraction 7 Summation

0.0481745440973652 0.0162654467601451 0.00549179578684552 0.0010958331699 1.0661130215451

0.045187089102002 0.0152567752493737 0.00515123225761383 0.0010278771085

0.1944 0.2385 0.2311 0.1138
These columns were calculated using spreadsheet formulas

cpresidual (J/(mol.K)) cp (J/(mol.K)) cv (J/(mol.K)) gama=cp/cv sound speed (m/s)

properties and acentric factor from Whitson interpolation tables

ln phi 1 ln phi 2 ln phi 3 ln phi 4 ln phi 5

There is a residue from the numerical integration: the rigorous value of the sum with an infinite number ot terms if 1.

Err:511 Err:511 Err:511 Err:511 Err:511

Err:511 Err:511 Err:511 Err:511 Err:511
ln phi 6 ln phi 7 ln fugacity 1 ln fugacity 2 ln fugacity 3
nfinite number ot terms if 1.

Err:511 Err:511 Err:511 Err:511 Err:511

delta ln fugacity Err:511 Err:511 Err:511

delta^2 Err:511 Err:511 Err:511

Sum (delta^2) Err:511

ln fugacity 4 ln fugacity 5 ln fugacity 6 ln fugacity 7

Err:511 Err:511 Err:511 Err:511

Physical properties from the Peng-Robinson equation of state with quadratic mixing rule fo

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Comments about this model

(1) This version of the Peng-Robinson EOS is identical to the original model with exception of the b parameter, which is given

c
 b  bj 
c
b   xi x j  i  1  ij 
i 1 j 1  2 

Flash separation of a binary mixture of CO2 and a pseudocomponent that represents clove oil.

Reference
Souza, A.T., M.L. Corazza, L. Cardozo-Filho, R. Guirardello, and M.A.A. Meireles
Phase Equilibrium Measurements for the System Clove (Eugenia caryophyllus) Oil + CO2
J. Chem. Eng. Data 2004, 49, 352-356

R 83.14
T(K) 318.2
P (bar) 100

CO2 Clove oil

Tc(K) 304.21 763.2
Pc(bar) 73.83 30.97
omega 0.2236 0.6286
kij 0 0.02945
0.02945 0
lij 0 -0.04411
-0.04411 0

theta CO2 theta Clove oil

Liquid 0.186794700744349 0.977621460495926
Vapor 0.813205299255651 0.0223785395040743
Moles CO2 Moles Clove oil Total
Global 0.93 0.07 1
Liquid 0.173719071692245 0.0684335022347148 0.242152574
Vapor 0.756280928307755 0.0015664977652852 0.757847426

ln (fugacity coefficients) ln (mole fraction)+ln phi

mole fraction CO2 mole fraction Clove oil CO2 Clove oil CO2
Liquid 0.717395107039596 0.282604892960404 Err:511 Err:511 Err:511
Vapor 0.997932964193859 0.00206703580614157 Err:511 Err:511 Err:511

Gliquid Err:511
Gvapor Err:511

Gtotal Err:511
uadratic mixing rule for the b-parameter

e b parameter, which is given by:

epresents clove oil.

lus) Oil + CO2

(mole fraction)+ln phi
Clove oil
Err:511
Err:511

Minimize this cell by changing the blue cells

Physical properties from an extended Peng-Robinson equation of state for confined fluids

Reference:
Unpublished work by Travalloni, L., F.W. Tavares, M. Castier, and S.I. Sandler

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Nitrogen adsorption in activated Carbon JX101

R (J/(mol.K)) 8.314
T(K) 298

Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
omega 0.039
kij 0

Adsorbent JX101 Data from: Qin Wu, Li Zhou, Jiaquan Wu, and Yaping Zhou, J. Chem. Eng. Data 2005, 5
Specific pore volume (mL/g) 0.52
Specific pore volume (m3/kg) 0.00052

Experimental data
P bulk (bar) Adsorbed amount (mmol/g) x
0.18 0.04 1
Confined fluid 0.39 0.0942 1
0.57 0.1566 1
0.84 0.2278 1
1.095 0.2964 1
1.47 0.388 1
1.845 0.4729 1
2.19 0.5437 1
2.52 0.6141 1
2.88 0.6897 1
3.27 0.7661 1
3.69 0.8565 1
4.35 0.9705 1
4.965 1.079 1
5.565 1.176 1
6.135 1.2655 1
6.69 1.3457 1
7.35 1.4329 1
8.04 1.5298 1
8.955 1.6365 1
9.81 1.735 1

Adsorbed amount (mol/kg)

2.0

1.8

1.6

1.4

1.2

1.0

0.8

0.6

0.4

0.2

0.0
0 0.1
f state for confined fluids

em specifications.

of calculations.

g Zhou, J. Chem. Eng. Data 2005, 50, 635-642

Unconfined fluid
P (Pa) Pore radius (m) delta/sigma Ep/k lnphiV
1.80E+04 100 0 0 Err:511
3.90E+04 100 0 0 Err:511
5.70E+04 100 0 0 Err:511
8.40E+04 100 0 0 Err:511
1.10E+05 100 0 0 Err:511
1.47E+05 100 0 0 Err:511
1.85E+05 100 0 0 Err:511
2.19E+05 100 0 0 Err:511
2.52E+05 100 0 0 Err:511
2.88E+05 100 0 0 Err:511
3.27E+05 100 0 0 Err:511
3.69E+05 100 0 0 Err:511
4.35E+05 100 0 0 Err:511
4.97E+05 100 0 0 Err:511
5.57E+05 100 0 0 Err:511
6.14E+05 100 0 0 Err:511
6.69E+05 100 0 0 Err:511
7.35E+05 100 0 0 Err:511
8.04E+05 100 0 0 Err:511
8.96E+05 100 0 0 Err:511
9.81E+05 100 0 0 Err:511
Adsorbed amount (mol/kg)

2.0

1.8

1.6

1.4

1.2

1.0

0.8

0.6

0.4

0.2

0.0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7
Pressure (MPa)
Use Solver to zero this cell by changing P of the confined fluid

Confined fluid
ln fug = ln phi + ln P x P (Pa) Pore radius (m)
Err:511 1 2.42E+05 6.93E-10
Err:511 1 5.20E+05 6.93E-10
Err:511 1 7.56E+05 6.93E-10
Err:511 1 1.10E+06 6.93E-10
Err:511 1 1.42E+06 6.93E-10
Err:511 1 1.89E+06 6.93E-10
Err:511 1 2.34E+06 6.93E-10
Err:511 1 2.75E+06 6.93E-10
Err:511 1 3.13E+06 6.93E-10
Err:511 1 3.54E+06 6.93E-10
Err:511 1 3.98E+06 6.93E-10
Err:511 1 4.43E+06 6.93E-10
Err:511 1 5.13E+06 6.93E-10
Err:511 1 5.77E+06 6.93E-10
Err:511 1 6.37E+06 6.93E-10
Err:511 1 6.93E+06 6.93E-10
Err:511 1 7.45E+06 6.93E-10
Err:511 1 8.07E+06 6.93E-10
Err:511 1 8.70E+06 6.93E-10
Err:511 1 9.50E+06 6.93E-10
Err:511 1 1.02E+07 6.93E-10

Calculated
Experimental

0.6 0.7 0.8 0.9 1

MPa)
y changing P of the confined fluid

delta/sigma Ep/k lnphiV ln fug = ln phi + ln P

0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
0.40292 923.261 Err:511 Err:511
Equilibrium condition Confined fluid
delta (ln fug) Molar volume (m3/mol) Molar density (mol/m3)
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Calc Adsorbed amount (mol/kg) Exper. Adsorbed amount (mol/kg) Deviation^2 (mol/kg)^2
Err:511 0.04 Err:511
Err:511 0.0942 Err:511
Err:511 0.1566 Err:511
Err:511 0.2278 Err:511
Err:511 0.2964 Err:511
Err:511 0.388 Err:511
Err:511 0.4729 Err:511
Err:511 0.5437 Err:511
Err:511 0.6141 Err:511
Err:511 0.6897 Err:511
Err:511 0.7661 Err:511
Err:511 0.8565 Err:511
Err:511 0.9705 Err:511
Err:511 1.079 Err:511
Err:511 1.176 Err:511
Err:511 1.2655 Err:511
Err:511 1.3457 Err:511
Err:511 1.4329 Err:511
Err:511 1.5298 Err:511
Err:511 1.6365 Err:511
Err:511 1.735 Err:511

Total (deviation)^2 Err:511

Unconfined fluid
P (MPa)
0.018
0.039
0.057
0.084
0.1095
0.147
0.1845
0.219
0.252
0.288
0.327
0.369
0.435
0.4965
0.5565
0.6135
0.669
0.735
0.804
0.8955
0.981
Physical properties from the Patel-Teja-Valderrama equation of state

Reference:
J. O. Valderrama, Ind. Eng. Chem. Res. 42 (2003) 1603–1618.

Color convention: Cells such as this one are problem specificati

Other numeric cells are results of calculations

Normal boiling temperature of n-hexane (i.e., at a pressure of 1 atm = 1.0132 bar)

R 83.14
T(K) 300 Compute using Solver

n-hexane DIPPR data

Tc(K) 507.6
Pc(bar) 3.03E+01
omega 0.301261
Zc 0.266
kij 0

x Pespec
1 1.0132

Example of sound speed calculation

Use SI units throught the calculation

Nitrogen DIPPR data
Tc(K) 126.2
Pc(Pa) 3.40E+06
omega 0.0377215
Zc 0.289
kij 0
Temperature (K)
Molar mass (g/mol)
Molar mass (kg/mol)
Ideal gas cp coefficients

Effect of external fields (gravitational and centrifugal) on phase equilibrium.

R (bar.cm3/(mol.K)) 83.14
T(K) 333

R (for gravitational and centrifugal fields) 8314

Gravity acceleration (m/s^2) 9.81
Radial speed (radians/s) 0

CO2 DIPPR data

Molar mass 44
Tc(K) 304.21
Pc(bar) 73.83
omega 0.223621
Zc 0.274
kij 0

The CO2 pressure is specified at level 0 m. Find its pressure 200 m below.

Level (m) Radial position (m) x(CO2)

0 0 1
-200 0 1

Isenthalpic expansion

The expansion of a fluid stream (pure substance or mixture) from a high pressure to a low pressure condition in a pe

Consider the expansion of a Nitrogen stream, initially at 250 K and 100 bar, to a final condition at 10 bar, and determ

Use SI units throught the calculation

Nitrogen
Nitrogen DIPPR data
Tc(K) 126.2
Pc(Pa) 3.40E+06
omega 0.0377215
Zc 0.289
kij 0

(T^0) coefficient (T^1) coefficient

Ideal gas cp coefficients (cp in J/(mol.K)) 31.15 -1.36E-02
R (J/(mol.K)) 8.314

Reference T (K) for enthalpy calculations 300

Mole fraction Pressure (Pascal)

Before the valve 1 10000000
After the valve 1 1000000

Isentropic expansion

The expansion of a fluid stream (pure substance or mixture) from a high pressure to a low pressure condition in a pe

Consider the expansion of a Nitrogen stream, initially at 250 K and 100 bar, to a final condition at 70 bar, and determ

Use SI units throught the calculation

Nitrogen DIPPR data
Tc(K) 126.2
Pc(Pa) 3.40E+06
omega 0.0377215
Zc 0.289
kij 0

(T^0) coefficient (T^1) coefficient

Ideal gas cp coefficients (cp in J/(mol.K)) 31.15 -1.36E-02
R (J/(mol.K)) 8.314

Reference T (K) for entropy calculations 300

Reference P (Pascal) for entropy calculations 100000

Mole fraction Pressure (Pascal)

Before the equipment 1 10000000
After the equipment 1 7000000
Observe that the final temperatures of the isenthalpic and isentropic expansions are similar (about 226 K),
even though the specified final pressures are very different. Try to undestand this by looking at a PH diagram.
e are problem specifications.

are results of calculations.

Computed with Computed with Computed with

function function spreadsheet
ptvnphil ptvlnphiv function.
lnphiL lnphiV deltalnphi
Err:511 Err:511 Err:511 Use Solver to zero this cell by changing T.

300
28.013
0.028013
31.15 -1.36E-02 2.68E-05

8.314
Spreadsheet Spreadsheet These 4 columns were calculated with array function svsoundspeedv.
formula formula
Pespec(Pa) cpig (J/(mol.K)) rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K)
101320 2.92E+01 Err:511 Err:511 Err:511
151320 2.92E+01 Err:511 Err:511 Err:511
201320 2.92E+01 Err:511 Err:511 Err:511
251320 2.92E+01 Err:511 Err:511 Err:511
301320 2.92E+01 Err:511 Err:511 Err:511
351320 2.92E+01 Err:511 Err:511 Err:511
401320 2.92E+01 Err:511 Err:511 Err:511
451320 2.92E+01 Err:511 Err:511 Err:511
501320 2.92E+01 Err:511 Err:511 Err:511
551320 2.92E+01 Err:511 Err:511 Err:511
601320 2.92E+01 Err:511 Err:511 Err:511
651320 2.92E+01 Err:511 Err:511 Err:511
701320 2.92E+01 Err:511 Err:511 Err:511
751320 2.92E+01 Err:511 Err:511 Err:511
801320 2.92E+01 Err:511 Err:511 Err:511
851320 2.92E+01 Err:511 Err:511 Err:511
901320 2.92E+01 Err:511 Err:511 Err:511
951320 2.92E+01 Err:511 Err:511 Err:511
1001320 2.92E+01 Err:511 Err:511 Err:511
1051320 2.92E+01 Err:511 Err:511 Err:511
1101320 2.92E+01 Err:511 Err:511 Err:511
1151320 2.92E+01 Err:511 Err:511 Err:511
1201320 2.92E+01 Err:511 Err:511 Err:511
1251320 2.92E+01 Err:511 Err:511 Err:511
1301320 2.92E+01 Err:511 Err:511 Err:511
1351320 2.92E+01 Err:511 Err:511 Err:511
1401320 2.92E+01 Err:511 Err:511 Err:511
1451320 2.92E+01 Err:511 Err:511 Err:511
1501320 2.92E+01 Err:511 Err:511 Err:511
1551320 2.92E+01 Err:511 Err:511 Err:511
1601320 2.92E+01 Err:511 Err:511 Err:511
1651320 2.92E+01 Err:511 Err:511 Err:511
1701320 2.92E+01 Err:511 Err:511 Err:511
1751320 2.92E+01 Err:511 Err:511 Err:511
1801320 2.92E+01 Err:511 Err:511 Err:511
1851320 2.92E+01 Err:511 Err:511 Err:511
1901320 2.92E+01 Err:511 Err:511 Err:511
1951320 2.92E+01 Err:511 Err:511 Err:511
2001320 2.92E+01 Err:511 Err:511 Err:511
2051320 2.92E+01 Err:511 Err:511 Err:511
2101320 2.92E+01 Err:511 Err:511 Err:511
2151320 2.92E+01 Err:511 Err:511 Err:511
2201320 2.92E+01 Err:511 Err:511 Err:511
2251320 2.92E+01 Err:511 Err:511 Err:511
2301320 2.92E+01 Err:511 Err:511 Err:511
2351320 2.92E+01 Err:511 Err:511 Err:511
2401320 2.92E+01 Err:511 Err:511 Err:511
2451320 2.92E+01 Err:511 Err:511 Err:511
2501320 2.92E+01 Err:511 Err:511 Err:511
2551320 2.92E+01 Err:511 Err:511 Err:511

ers the effect of position on properties is relevant.

w) to account for the effect of the gravitational field.

Function Spreadsheet Spreadsheet

ptvlnphiv formula formula
Pespec (bar) lnphiv (CO2) ln fug (CO2) Function This function is the difference b
8 Err:511 Err:511
8 Err:511 Err:511 Err:511 Use Solver to zero this cell
Compute using
Solver

pressure condition in a perfectly insulated valve (throtlting) is an isenthalpic process.

tion at 10 bar, and determine its final temperature.

(T^2) coefficient (T^3) coefficient
2.68E-05 -1.17E-08

Spreadsheet These 4 columns were calculated with array function ptvresv.

formula
Temperature (K) Ideal gas h (J/mol) gr/(RT) hr/(RT) sr/R
250 -1460.28 Err:511 Err:511 Err:511
250.00 -1460.28 Err:511 Err:511 Err:511
Compute using
Solver

pressure condition in a perfectly insulated reversible turbine is an isentropic process.

tion at 70 bar, and determine its final temperature.

(T^2) coefficient (T^3) coefficient

2.68E-05 -1.17E-08

Spreadsheet These 4 columns were calculated with array function ptvresv.

formula
Temperature (K) Ideal gas s (J/(mol.K)) gr/(RT) hr/(RT) sr/R
250 -4.36E+01 Err:511 Err:511 Err:511
250.00 -4.06E+01 Err:511 Err:511 Err:511
Compute using
Solver

(about 226 K),

g at a PH diagram.
changing T.

-1.17E-08
svsoundspeedv. These columns were calculated using spreadsheet formulas

dpdt (Pa/K) cpresidual (J/(mol.K)) cp (J/(mol.K)) cv (J/(mol.K)) gama=cp/cv

nction is the difference between ln fug values at two different positions.

lver to zero this cell

Spreadsheet Spreadsheet
formula formula
cpr/R Residual h (J/mol) Molar h (J/mol)
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511

Delta h (J/mol) Err:511 Use Solver to zero this cell

The flowrates before and after the valve are equal (steady-state assumption).
Therefore, if the enthalpies are equal, the molar enthalpies must be equal.

Hint: use Solver to zero the Delta h cell by

changing the temperature after the valve.

Spreadsheet Spreadsheet
formula formula
cpr/R Residual s (J/(mol.K))Molar s (J/(mol.K))
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Delta s (J/(mol.K)) Err:511 Use Solver to zero this cell

The flowrates before and after the valve are equal (steady-state assumption).

Hint: use Solver to zero the Delta s cell by

changing the temperature after the valve.

Therefore, if the entropies are equal, the molar entropies must be equal.
sound speed (m/s)
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
Err:511
e assumption).
st be equal.
e assumption).

must be equal.
delta^2 0 0

Sum (delta^2) 0
0 0 0 0 0
Physical properties from the Stryjek-Vera equation of state

Reference:
Stryjek, R. and Vera, J.H.,
PRSV: An Improved Peng-Robinson Equation of State for Pure Compounds and Mixtures
Can. J. Chem. Engng. (1986) 64, 323-333.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Normal boiling temperature of n-hexane (i.e., at a pressure of 1 atm = 1.0132 bar)

R ((bar.cm3/(mol.K)) 83.14
T(K) 300 Compute using Solver

n-hexane
Tc(K) 507.5
Pc(bar) 30.1236
omega 0.30075
K1 0.05104
kij 0

Computed with Computed with

function function
svlnphil svlnphiv
x P (bar) lnphiL lnphiV
1 1.0132 Err:511 Err:511

Example of sound speed calculation

Use SI units throught the calculation

Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
omega 0.039
kij 0
Temperature (K) 300
Molar mass (g/mol) 28.013
Molar mass (kg/mol) 0.028013
Ideal gas cp coefficients

R (SI) 8.314
Spreadsheet Spreadsheet
formula formula
x Pespec (bar) Pespec(Pa) cpig (J/(mol.K))
1 1.0132 101320 2.92E+01
1 1.5132 151320 2.92E+01
1 2.0132 201320 2.92E+01
1 2.5132 251320 2.92E+01
1 3.0132 301320 2.92E+01
1 3.5132 351320 2.92E+01
1 4.0132 401320 2.92E+01
1 4.5132 451320 2.92E+01
1 5.0132 501320 2.92E+01
1 5.5132 551320 2.92E+01
1 6.0132 601320 2.92E+01
1 6.5132 651320 2.92E+01
1 7.0132 701320 2.92E+01
1 7.5132 751320 2.92E+01
1 8.0132 801320 2.92E+01
1 8.5132 851320 2.92E+01
1 9.0132 901320 2.92E+01
1 9.5132 951320 2.92E+01
1 10.0132 1001320 2.92E+01
1 10.5132 1051320 2.92E+01
1 11.0132 1101320 2.92E+01
1 11.5132 1151320 2.92E+01
1 12.0132 1201320 2.92E+01
1 12.5132 1251320 2.92E+01
1 13.0132 1301320 2.92E+01
1 13.5132 1351320 2.92E+01
1 14.0132 1401320 2.92E+01
1 14.5132 1451320 2.92E+01
1 15.0132 1501320 2.92E+01
1 15.5132 1551320 2.92E+01
1 16.0132 1601320 2.92E+01
1 16.5132 1651320 2.92E+01
1 17.0132 1701320 2.92E+01
1 17.5132 1751320 2.92E+01
1 18.0132 1801320 2.92E+01
1 18.5132 1851320 2.92E+01
1 19.0132 1901320 2.92E+01
1 19.5132 1951320 2.92E+01
1 20.0132 2001320 2.92E+01
1 20.5132 2051320 2.92E+01
1 21.0132 2101320 2.92E+01
1 21.5132 2151320 2.92E+01
1 22.0132 2201320 2.92E+01
1 22.5132 2251320 2.92E+01
1 23.0132 2301320 2.92E+01
1 23.5132 2351320 2.92E+01
1 24.0132 2401320 2.92E+01
1 24.5132 2451320 2.92E+01
1 25.0132 2501320 2.92E+01
1 25.5132 2551320 2.92E+01
Computed with
spreadsheet
function.
deltalnphi
Err:511 Use Solver to zero this cell by changing T.

31.15 -1.36E-02 2.68E-05 -1.17E-08

These 4 columns were calculated with array function svsoundspeedv. These columns were calculated usin

rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K) dpdt (Pa/K) cpresidual (J/(mol.K))
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
mns were calculated using spreadsheet formulas

cp (J/(mol.K)) cv (J/(mol.K)) gama=cp/cv sound speed (m/s)

Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Physical properties from the Predictive SRK Equation of State

Reference:
Horstmann, S., A. Jabloniec, J. Krafczyk, K. Fischer, J. Gmehling
PSRK group contribution equation of state: comprehensive revision and extension IV: including critical con
Fluid Phase Equilibria 227 (2005) 157-164.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Vapor-liquid equilibrium of the mixture HCl+Cl2

HCl Cl2
Tc (K) 324.6 417
Pc (bar) 83.0865 77.007
c1 0.66635 0.55192
c2 0.35497 0.01934
c3 -1.3766 0.59414
HCl Cl2
r 1.056 1.53
q 1.256 1.44
HCl 0 2.0069
a Cl2 132 0
HCl 0 0
b Cl2 0 0
HCl 0 0
c Cl2 0 0
HCl 1 0
Cl2 0 1

R ((bar.cm3)/(mol.K)) 83.14
T (K) 273.15

Calculated as
(1-x1) with
spreadsheet These 2 columns were calculated with
formula array function psrklnphil.
x1 x2 ln phi 1 l ln phi 2 l
0.02 0.98 Err:511 Err:511
0.05 0.95 Err:511 Err:511
0.1 0.9 Err:511 Err:511
0.15 0.85 Err:511 Err:511
0.2 0.8 Err:511 Err:511
0.25 0.75 Err:511 Err:511
0.3 0.7 Err:511 Err:511
0.35 0.65 Err:511 Err:511
0.4 0.6 Err:511 Err:511
0.45 0.55 Err:511 Err:511
0.5 0.5 Err:511 Err:511
0.55 0.45 Err:511 Err:511
0.6 0.4 Err:511 Err:511
0.65 0.35 Err:511 Err:511
0.7 0.3 Err:511 Err:511
0.75 0.25 Err:511 Err:511
0.8 0.2 Err:511 Err:511
0.85 0.15 Err:511 Err:511
0.9 0.1 Err:511 Err:511
0.95 0.05 Err:511 Err:511
0.99 0.01 Err:511 Err:511

HCl+Cl2 at 273.15

Pressure (MPa)
3

2.5

1.5

0.5

0
0 0.2 0.4 0.6
Mole fraction of HCl

Vapor-liquid equilibrium of the mixture HCN+H2O

HCN H2O
Tc (K) 456.8 647.3
Pc (bar) 53.9049 220.48321
c1 1.62716 1.0783
c2 -5.00731 -0.58321
c3 10.34189 0.54619
HCN H2O
r 1.2 0.92
q 1.19 1.4
HCN 0 79.524
a H2O 261.73 0
HCN 0 0
b H2O 0 0
HCN 0 0
c H2O 0 0
HCN 1 0
H2O 0 1
R ((bar.cm3)/(mol.K)) 83.14
T (K) 291.15

Calculated as
(1-x1) with
spreadsheet These 2 columns were calculated with
formula array function psrklnphil.
x1 x2 ln phi 1 l ln phi 2 l
0.01 0.99 Err:511 Err:511
0.05 0.95 Err:511 Err:511
0.1 0.9 Err:511 Err:511
0.15 0.85 Err:511 Err:511
0.2 0.8 Err:511 Err:511
0.25 0.75 Err:511 Err:511
0.3 0.7 Err:511 Err:511
0.35 0.65 Err:511 Err:511
0.4 0.6 Err:511 Err:511
0.45 0.55 Err:511 Err:511
0.5 0.5 Err:511 Err:511
0.55 0.45 Err:511 Err:511
0.6 0.4 Err:511 Err:511
0.65 0.35 Err:511 Err:511
0.7 0.3 Err:511 Err:511
0.75 0.25 Err:511 Err:511
0.8 0.2 Err:511 Err:511
0.85 0.15 Err:511 Err:511
0.9 0.1 Err:511 Err:511
0.95 0.05 Err:511 Err:511
0.99 0.01 Err:511 Err:511

HCN+H2O at 291.15K
Pressure (kPa)

90
80
70
60
50
40
30
20
10
0
0 0.2 0.4 0.6 0
Mole fraction of HCN
Vapor-liquid equilibrium and residual properties of the mixture n-pentane+benzene

n-pentane benzene
Tc (K) 469.7 562.1
Pc (bar) 33.69056 48.93997
c1 0.92983 0.8356
c2 -0.57909 -0.375
c3 1.1375 0.9715
CH3 CH2 ACH
r 0.9011 0.6744 0.5313
q 0.848 0.54 0.4
CH3 0 0 61.13
a CH2 0 0 61.13
ACH -11.12 -11.12 0
CH3 0 0 0
b CH2 0 0 0
ACH 0 0 0
CH3 0 0 0
c CH2 0 0 0
ACH 0 0 0
n-pentane 2 3 0
benzene 0 0 6

R ((bar.cm3)/(mol.K)) 83.14 P (bar)

T (K) 353.15

Calculated as
(1-x1) with
spreadsheet These 2 columns were calculated with
formula array function psrklnphil.
x1 x2 ln phi 1 l ln phi 2 l
0.71 0.29 Err:511 Err:511

Chemical Equilibrium

This is an advanced example with four simultaneous chemical reactions, originally discussed in th
The four reactions are:

H2 C2H4 C3H6
Tc (K) 33.2 282.35 365
Pc (bar) 12.9696 50.41628 46.2042
c1 0.1252 0.61252 0.7091
c2 0 0 -0.10396
c3 0 0 0.14989
CH3 CH2 CH2=CH
r 0.9011 0.6744 1.3454
q 0.848 0.54 1.176
CH3 0 0 86.02
CH2 0 0 86.02
a CH2=CH -35.36 -35.36 0
CH2=CH2 -35.36 -35.36 0
CH4 68.141 68.141 18.78
H2 315.96 315.96 399.44
CH3 0 0 0
CH2 0 0 0
b CH2=CH 0 0 0
CH2=CH2 0 0 0
CH4 -0.7386 -0.7386 0
H2 -0.4563 -0.4563 -0.5806
CH3 0 0 0
CH2 0 0 0
c CH2=CH 0 0 0
CH2=CH2 0 0 0
CH4 0 0 0
H2 -0.00156 -0.00156 0
H2 0 0 0
C2H4 0 0 0
Description C3H6 1 0 1
by groups CH4 0 0 0
C2H6 2 0 0
C3H8 2 1 0

Parameters of the chemical reaction equilibrium constants were taken from the work Carrero-Mantilla and L

T (K) 700

Equilibrium constants

A B*10^3 C*10^6 D
Reaction 1' 0.131000 -0.624000 0.123300 0.000000
Reaction 2' -3.673000 2.828500 -0.318167 -4150.000000
Reaction 3' -2.5660 2.947000 -0.400333 0.000000
Reaction 4' -1.913000 2.655000 -0.378000 0.000000

Stoichiometric coefficients

H2 C2H4 C3H6 CH4

Reaction 1' 0 -1 1 0
Reaction 2' -1 0 -1 0
Reaction 3' 0 -1 0 -2
Reaction 4' 0 -1 0 -1

R (bar.cm3/(mol.K)) 83.14
P (bar) 50

Numerical solution

The initial amounts are specified. The unknowns are the extents of reaction.

For a given estimate of the extents of reaction, the amounts of all components can be computed, and then, their mo

If the extents of reaction are not correct, the chemical equilibrium equations will not be satisfied and there will be a r

Excel Solver was used to minimize this residue by simultaneously changing the values of the four extents of reaction

This is a difficult example because the calculations are sensitive to the initial values used for the extents of reaction.
These initial values should be carefully chosen in such a way that the component amounts and mole fractions are a

The extents of reaction provided in this file are good initial estimates for the problem conditions and will lea
You may try other initial values to observe it is not easy to provide initial values in this problem.

Initial amounts
H2 C2H4 C3H6 CH4
1 2 2 0
Equilibrium mole fractions
H2 C2H4 C3H6 CH4
2.55753821600315E-06 0.05115076432 0.69309541407823 0.179027675121036

Fugacities
H2 C2H4 C3H6 CH4
Err:511 Err:511 Err:511 Err:511

Chemical Equilibrium equations

Reaction 1' Reaction 2' Reaction 3' Reaction 4'
Err:511 Err:511 Err:511 Err:511
: including critical constants and alpha-function parameters for 1000 components

Calculated as
(1-y2) with
These columns were calculated with spreadsheet The values in these two columns
spreadsheet formulas. formula were computed using Excel Solver.
Ln(x1)+ ln phi1 l Ln(x2)+ ln phi2 l y1 y2 P(bar)
Err:511 Err:511 0.1815864913 0.818413508687414 4.61572300324668
Err:511 Err:511 0.352012917 0.647987082953871 5.7627795809123
Err:511 Err:511 0.5128624169 0.487137583121595 7.49840961340244
Err:511 Err:511 0.6059511509 0.394048849134297 9.04508578654254
Err:511 Err:511 0.6674625011 0.33253749890697 10.4350489534193
Err:511 Err:511 0.7118313132 0.288168686794287 11.6964260312948
Err:511 Err:511 0.7459566681 0.254043331860097 12.8536671753386
Err:511 Err:511 0.77356105 0.226438949997582 13.9280242799278
Err:511 Err:511 0.7968392431 0.203160756858554 14.9379992509921
Err:511 Err:511 0.8171781992 0.182821800775776 15.8997465094198
Err:511 Err:511 0.8355062153 0.164493784724533 16.8274268557619
Err:511 Err:511 0.8524766539 0.147523346118951 17.7335138489737
Err:511 Err:511 0.8685711384 0.131428861583498 18.6290553278784
Err:511 Err:511 0.8841607717 0.115839228302277 19.5238931929382
Err:511 Err:511 0.8995442238 0.100455776173736 20.4268445495399
Err:511 Err:511 0.914972488 0.085027511986706 21.3458469818022
Err:511 Err:511 0.9306656738 0.0693343262011447 22.2880702505211
Err:511 Err:511 0.94682492 0.0531750799809583 23.2599960864105
Err:511 Err:511 0.9636412757 0.0363587242912237 24.2674671061886
Err:511 Err:511 0.9813027078 0.0186972922415351 25.3157051336705
Err:511 Err:511 0.996168283 0.0038317169812885 26.1867534589038

HCl+Cl2 at 273.15K

Bubble line
Dew line

0.6 0.8 1
ole fraction of HCl
Calculated as
(1-y2) with
These columns were calculated with spreadsheet Computed using These 2 columns were calculated with
spreadsheet formulas. formula. Excel Solver. array function psrklnphiv.
Ln(x1)+ ln phi1 l Ln(x2)+ ln phi2 l y1 y2 ln phi 1 v
Err:511 Err:511 0.7280824512 0.271917548784948 Err:511
Err:511 Err:511 0.9198676064 0.0801323935940837 Err:511
Err:511 Err:511 0.9504081555 0.0495918444702415 Err:511
Err:511 Err:511 0.9604572116 0.0395427884182031 Err:511
Err:511 Err:511 0.9651329703 0.0348670297332549 Err:511
Err:511 Err:511 0.9676416693 0.0323583307140729 Err:511
Err:511 Err:511 0.9690914183 0.0309085816614731 Err:511
Err:511 Err:511 0.9699789274 0.0300210725832992 Err:511
Err:511 Err:511 0.970571543 0.0294284570129543 Err:511
Err:511 Err:511 0.9710372107 0.028962789276528 Err:511
Err:511 Err:511 0.9714977162 0.0285022838000407 Err:511
Err:511 Err:511 0.972053883 0.0279461169551092 Err:511
Err:511 Err:511 0.9727991976 0.0272008023794421 Err:511
Err:511 Err:511 0.9738283176 0.0261716823576178 Err:511
Err:511 Err:511 0.9752433417 0.0247566582667951 Err:511
Err:511 Err:511 0.9771593133 0.0228406867087534 Err:511
Err:511 Err:511 0.9797098696 0.0202901303660564 Err:511
Err:511 Err:511 0.9830537619 0.0169462380696422 Err:511
Err:511 Err:511 0.9873829974 0.0126170026496363 Err:511
Err:511 Err:511 0.9929335527 0.0070664473116269 Err:511
Err:511 Err:511 0.9984488458 0.0015511542341897 Err:511

HCN+H2O at 291.15K

Bubble line
Dew line

0.6 0.8 1
action of HCN
e+benzene

3.03961866420839 Computed using

Excel Solver.

These 4 columns were calculated with array function psrkresl. These columns were calculated with
spreadsheet formulas.
gr/(RT) liquid hr/(RT) liquid sr/R liquid cpr/R liquid Ln(x1)+ ln phi1 l
Err:511 Err:511 Err:511 Err:511 Err:511

Objective function: residue

nally discussed in the following reference:

CH4 C2H6 C3H8
190.6 305.4 369.95
46.00155 48.83865 42.45518
0.49258 0.68638 0.75108
0 -0.42475 -0.31941
0 0.72531 0.59617
CH2=CH2 CH4 H2
1.3564 1.1292 0.416
1.3098 1.124 0.571
86.02 -39.101 613.3
86.02 -39.101 613.3
0 38.602 585
0 38.602 585
18.78 0 253.92
399.44 128.55 0
0 0.8459 -2.5418
0 0.8459 -2.5418
0 0 -0.8727
0 0 -0.8727
0 0 0
-0.5806 0 0
0 0 0.006638
0 0 0.006638
0 0 0
0 0 0
0 0 0
0 0 0
0 0 1
1 0 0
0 0 0
0 1 0
0 0 0
0 0 0

Carrero-Mantilla and Llano Restrepo (2006)

E*10^(-3) F ln K
1.426171 0.220200 2.73939566674783
14.127914 7.665200 5.60139499734476
8.028224 -0.543700 -4.01814388114995
9.588485 -4.958900 -2.12000096665232

C2H6 C3H8
1 -1
0 1
2 0
0 1

uted, and then, their mole fractions, fugacity coefficients, and fugacities.

fied and there will be a residue.

e four extents of reaction.

r the extents of reaction.

and mole fractions are all positive.

conditions and will lead to convergence when Solver is applied.

s problem.

Extents of reaction
C2H6 C3H8 csi 1 csi 2 csi 3
0 0 1.71 0.99999 -0.79
Fugacity coefficients
C2H6 C3H8 H2 C2H4 C3H6
0.033247996808192 0.04347559213404 Err:511 Err:511 Err:511

C2H6 C3H8
Err:511 Err:511

Residue
Err:511
These 2 columns were calculated with These columns were calculated with
array function psrklnphiv. spreadsheet formulas.
ln phi 1 v ln phi 2 v Ln(y1)+ ln phi1 v Ln(y2)+ ln phi2 v
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511

Excellent agreement with the results of Horstmann et al. (2005).

columns were calculated with These columns were calculated with Computed using
nction psrklnphiv. spreadsheet formulas. Excel Solver.
ln phi 2 v Ln(y1)+ ln phi1 v Ln(y2)+ ln phi2 v P (bar)
Err:511 Err:511 Err:511 0.0756726818153239
Err:511 Err:511 Err:511 0.248760107250705
Err:511 Err:511 Err:511 0.388711514333623
Err:511 Err:511 Err:511 0.474456314556436
Err:511 Err:511 Err:511 0.526684485182091
Err:511 Err:511 Err:511 0.558227263975504
Err:511 Err:511 Err:511 0.577159648000102
Err:511 Err:511 Err:511 0.588638066823073
Err:511 Err:511 Err:511 0.596004172783317
Err:511 Err:511 Err:511 0.601457953533718
Err:511 Err:511 Err:511 0.60647461118931
Err:511 Err:511 Err:511 0.612066738075574
Err:511 Err:511 Err:511 0.618951689960274
Err:511 Err:511 Err:511 0.627660003304555
Err:511 Err:511 Err:511 0.638606600670038
Err:511 Err:511 Err:511 0.652138123356842
Err:511 Err:511 Err:511 0.668564618726995
Err:511 Err:511 Err:511 0.688180614416352
Err:511 Err:511 Err:511 0.71127850362891
Err:511 Err:511 Err:511 0.738155689636773
Err:511 Err:511 Err:511 0.76258238480286

Excellent agreement with the results of Horstmann et al. (2005).

Calculated as
(1-y1) with
olumns were calculated with Computed using spreadsheet These 2 columns were calculated with
heet formulas. Excel Solver. formula. array function psrklnphiv.
Ln(x2)+ ln phi2 l y1 y2 ln phi 1 v
Err:511 0.86778282531521 0.13221717468479 Err:511

Err:511
Solver was used to
minimize this residue
by changing P and y1.
Equilibrium amounts
csi 4 H2 C2H4 C3H6
0.88 9.999999999954E-06 0.2 2.71001
0
coefficients
CH4 C2H6 C3H8
Err:511 Err:511 Err:511
Solver was used
to minimize this Unit conversion
residue by using
changing y2 spreadsheet
and P (bar). formula
residue P (Mpa)
Err:511 0.46157230032467
Err:511 0.57627795809123
Err:511 0.74984096134024
Err:511 0.90450857865425
Err:511 1.04350489534193
Err:511 1.16964260312948
Err:511 1.28536671753386
Err:511 1.39280242799278
Err:511 1.49379992509921
Err:511 1.58997465094198
Err:511 1.68274268557619
Err:511 1.77335138489737
Err:511 1.86290553278784
Err:511 1.95238931929382
Err:511 2.04268445495399
Err:511 2.13458469818022
Err:511 2.22880702505211
Err:511 2.32599960864105
Err:511 2.42674671061886
Err:511 2.53157051336705
Err:511 2.61867534589038

of Horstmann et al. (2005).

Solver was used
to minimize this Unit conversion
residue by using
changing y2 spreadsheet
and P (bar). formula
residue P (kPa)
Err:511 7.56726818153239
Err:511 24.8760107250705
Err:511 38.8711514333623
Err:511 47.4456314556436
Err:511 52.6684485182091
Err:511 55.8227263975504
Err:511 57.7159648000102
Err:511 58.8638066823073
Err:511 59.6004172783317
Err:511 60.1457953533718
Err:511 60.647461118931
Err:511 61.2066738075574
Err:511 61.8951689960274
Err:511 62.7660003304555
Err:511 63.8606600670038
Err:511 65.2138123356842
Err:511 66.8564618726995
Err:511 68.8180614416352
Err:511 71.127850362891
Err:511 73.8155689636773
Err:511 76.258238480286

of Horstmann et al. (2005).

umns were calculated with These 4 columns were calculated with array function psrkresv.
on psrklnphiv.
ln phi 2 v gr/(RT) vapor hr/(RT) vapor sr/R vapor cpr/R vapor
Err:511 Err:511 Err:511 Err:511 Err:511
CH4 C2H6 C3H8 Total
0.7 0.13 0.16999 3.91001
These columns were calculated with
spreadsheet formulas.
Ln(y1)+ ln phi1 v Ln(y2)+ ln phi2 v
Err:511 Err:511
Physical properties from the Mattedi-Tavares-Castier (MTC) Equation of State

Reference:
Mattedi, S., Tavares, F. W., Castier, M., 2002. High pressure phase equilibrium calculations for hydrocarbon system
using an equation of state based on the lattice fluid theory. Fluid Phase Equilibria 194, 599–607.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Vapor pressure of Nitrogen

R (bar.cm3/(mol.K)) 83.14

Group 1
Vinf (cm3/mol) 20.204
Qa 3.347
B (Kelvin) 9.268
u00 (Kelvin) -152.118
Nitrogen 1 Group description of Nitrogen: 1 N2.

x T (K) P (bar) ln phi liquid

1 70 0.401930025651 Err:511
1 75 0.779210965105 Err:511
1 80 1.386555810921 Err:511
1 85 2.302455132739 Err:511
1 90 3.613114831808 Err:511
1 95 5.410298918479 Err:511
1 100 7.789508293038 Err:511
1 105 10.84833380807 Err:511
1 110 14.68526257419 Err:511
1 115 19.39858625453 Err:511
1 120 25.08569590155 Err:511
1 122 27.65477954922 Err:511
1 123 29.00533458807 Err:511
1 124 30.4 Err:511
Pressure (bar)

0
60 70 80 90 100 110 120 130
Temperature (K)
15

0
60 70 80 90 100 110 120 130
Temperature (K)

Speed of Sound in Nitrogen

R (bar.cm3/(mol.K)) 83.14

Group 1
Vinf (cm3/mol) 20.204
Qa 3.347
B (Kelvin) 9.268
u00 (Kelvin) -152.118
Nitrogen 1 Group description of Nitrogen: 1 N2.

Molar mass (g/mol) 28.013

Molar mass (kg/mol) 0.028013
Ideal gas cp coefficients

Spreadsheet
formula
x Temperature (K) Pespec (bar) cpig (J/(mol.K))
1 150 1.0132 2.97E+01
1 155 1.0132 2.96E+01
1 160 1.0132 2.96E+01
1 165 1.0132 2.96E+01
1 170 1.0132 2.96E+01
1 175 1.0132 2.95E+01
1 180 1.0132 2.95E+01
1 185 1.0132 2.95E+01
1 190 1.0132 2.95E+01
1 195 1.0132 2.94E+01
1 200 1.0132 2.94E+01
1 205 1.0132 2.94E+01
1 210 1.0132 2.94E+01
1 215 1.0132 2.94E+01
1 220 1.0132 2.93E+01
1 225 1.0132 2.93E+01
1 230 1.0132 2.93E+01
1 235 1.0132 2.93E+01
1 240 1.0132 2.93E+01
1 245 1.0132 2.93E+01
1 250 1.0132 2.93E+01
1 255 1.0132 2.92E+01
1 260 1.0132 2.92E+01
1 265 1.0132 2.92E+01
1 270 1.0132 2.92E+01
1 275 1.0132 2.92E+01
1 280 1.0132 2.92E+01
1 285 1.0132 2.92E+01
1 290 1.0132 2.92E+01
1 295 1.0132 2.92E+01
1 300 1.0132 2.92E+01
1 305 1.0132 2.92E+01
1 310 1.0132 2.92E+01
1 315 1.0132 2.92E+01
1 320 1.0132 2.92E+01
1 325 1.0132 2.92E+01
1 330 1.0132 2.92E+01
1 335 1.0132 2.92E+01
1 340 1.0132 2.92E+01
1 345 1.0132 2.92E+01
1 350 1.0132 2.92E+01
Speed of sound (m/s)

400

380

360

340

320

300

280

260

240

220

200
100 150 200 250 300 350
Temperature (K)

Speed of Sound in Oxygen

R (bar.cm3/(mol.K)) 83.14
Group 1
Vinf (cm3/mol) 19.176
Qa 2.841
B (Kelvin) 17.594
u00 (Kelvin) -192.186
Oxygen 1 Group description of Oxygen: 1 O2.

Molar mass (g/mol) 31.999

Molar mass (kg/mol) 0.031999
Ideal gas cp coefficients

Spreadsheet
formula
x Temperature (K) Pespec (bar) cpig (J/(mol.K))
1 150 1.0132 28.466
1 155 1.0132 28.489
1 160 1.0132 28.513
1 165 1.0132 28.537
1 170 1.0132 28.562
1 175 1.0132 28.587
1 180 1.0132 28.613
1 185 1.0132 28.639
1 190 1.0132 28.667
1 195 1.0132 28.694
1 200 1.0132 28.722
1 205 1.0132 28.751
1 210 1.0132 28.781
1 215 1.0132 28.810
1 220 1.0132 28.841
1 225 1.0132 28.872
1 230 1.0132 28.903
1 235 1.0132 28.935
1 240 1.0132 28.968
1 245 1.0132 29.001
1 250 1.0132 29.034
1 255 1.0132 29.068
1 260 1.0132 29.102
1 265 1.0132 29.137
1 270 1.0132 29.172
1 275 1.0132 29.208
1 280 1.0132 29.244
1 285 1.0132 29.281
1 290 1.0132 29.318
1 295 1.0132 29.355
1 300 1.0132 29.393
1 305 1.0132 29.431
1 310 1.0132 29.469
1 315 1.0132 29.508
1 320 1.0132 29.548
1 325 1.0132 29.587
1 330 1.0132 29.627
1 335 1.0132 29.668
1 340 1.0132 29.709
1 345 1.0132 29.750
1 350 1.0132 29.791
1 355 1.0132 29.833
1 360 1.0132 29.875
1 365 1.0132 29.917
1 370 1.0132 29.959
1 375 1.0132 30.002
1 380 1.0132 30.045
1 385 1.0132 30.089
1 390 1.0132 30.132
1 395 1.0132 30.176
1 400 1.0132 30.221
Speed of sound (m/s)

400

380

360

340

320

300

280

260

240

220

200
100 150 200 250 300 350 400
Temperature (K)
or hydrocarbon systems

ln phi vapor difference in ln phi grrtl hrrtl

Err:511 Err:511 Err:511 Err:511

2000

1900

1800

1700

1600

1500

1400

1300

1200

120 130 1100

1000
1600

1500

1400

1300

1200

120 130 1100

1000
60 70 80 90 100 110 120 130
Temperature (K)

31.15 -1.36E-02 2.68E-05 -1.17E-08

These 4 columns were calculated with array function mtcsoundspeedv.

rho (mol/cm3) dpdrho (bar/(mol/cm3)) cprr (K) dPdT (bar/K)

0 350 400
28.11 -3.680E-06 1.746E-05 -1.065E-08

These 4 columns were calculated with array function mtcsoundspeedv.

rho (mol/cm3) dpdrho (bar/(mol/cm3)) cprr (K) dPdT (bar/K)

Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511

50 400 450
srrl cprrl grrtv hrrtv
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
110 120 130

These columns were calculated using spreadsheet formulas

rho (mol/m3) dPdrho (Pa/(mol/m3)) cprr (K) dPdT (Pa/K)

Comparison with other calculations and data from the literature.

These columns were calculated using spreadsheet formulas

rho (mol/m3) dPdrho (Pa/(mol/m3)) cprr (K) dPdT (Pa/K)

Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511

Comparison with other calculations and data from the literature.

srrv cprrv hvaporization/(RT) hvaporization(J/mol)
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
cp residual (J/(mol.K) cp (J/(mol.K)) cv (J/(mol.K)) gamma=cp/cv sound speed (m/s)
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511

ns and data from the literature.

cp residual (J/(mol.K) cp (J/(mol.K)) cv (J/(mol.K)) gama=cp/cv sound speed (m/s)
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511 Err:511

ns and data from the literature.

speed (m/s)
speed (m/s)
Physical properties from the electrolattice equation of state for ions of equal diameters

Reference:
Work in progress

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Vapor pressure of: water

vcell 5

sum q 1.742253
Fractional q 0.492302209 0.408785062
Vinf 5.290993373 4.393397011

Vinf (cm3/mol) 5.290993373 4.393397011

R (J/(mol.K)) 8.314

r 2.14949

Water
D-group alpha group
Vinf (m3/mol) 0.000005290993373 0.000004393397011
Qa 0.857715 0.712207
B (Kelvin) D-group 700.671 700.671
alpha group 700.671 700.671
beta group 700.671 0
Na+ (group) 0 0
Cl- (group) 0 0
u00 (Kelvin) D -535.864 -535.864
alpha -535.864 -535.864
beta -535.864 -2625.69
Na+ (group) -277.068 -277.068
Cl- (group) -277.068 -277.068
Frequency water 1 1
Na+ ion 0 0
Cl-ion 0 0
Charge 0 0
Sigma (meters) 1 1
Dielectric coeff 1 -19.29050 0
Dielectric coeff 2 29814.5 0
Dielectric coeff 3 -0.019678 0
Dielectric coeff 4 0.00013189 0
Dielectric coeff 5 -0.0000003 0
T(K) P (Pa) H2O
373.331565497864 1.01E+05 1.00E+00
373.200461247694 1.01E+05 9.90E-01
372.447044086154 1.01E+05 9.80E-01
371.21701642726 1.01E+05 9.70E-01
369.561114846716 1.01E+05 9.60E-01

These are specifications

ate for ions of equal diameters

s one are problem specifications.

lls are results of calculations.

0.09891273
1.063059616

1.063059616 5 5

12.7 12.7

beta group Na+ (group) Cl- (group)

0.000001063059616 0.0000635 0.0000635
0.172331 10.36 10.36
700.671 0 0
0 0 0
700.671 0 0
0 0 0
0 0 0
-535.864 -277.068 -277.068
-2625.69 -277.068 -277.068
-535.864 -277.068 -277.068
-277.068 -468.877 -468.877
-277.068 -468.877 -468.877
1 0 0
0 1 0
0 0 1
0 1 -1
1 2.536E-10 2.536E-10
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0

x liquid
Na+ Cl- H2O
1.00E-04 1.00E-04 Err:511
5.10E-03 5.10E-03 Err:511
1.01E-02 1.01E-02 Err:511
1.51E-02 1.51E-02 Err:511
2.01E-02 2.01E-02 Err:511
???????

???????

red: for now just arbitrary values

Yellow: always zero

Green: always non-zero, any value

ln fi y vapor
Na+ Cl- H2O Na+ Cl- H2O
Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511
Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511
Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511
Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511
Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511
ln fi
Na+ Cl- delta ln fugacity delta^2
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511

sum Err:511
Physical properties from the electrolattice equation of state for ions of unequal diameters

Reference:
Work in progress

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Vapor pressure of: water

vcell 5

sum q 1.742253
Fractional q 0.492302209 0.408785062 0.09891273
Vinf 5.290993373 4.393397011 1.063059616

Vinf (cm3/mol) 5.290993373 4.393397011 1.063059616 5

R (J/(mol.K)) 8.314

r 2.14949 12.7

Water
D-group alpha group beta group Na+ (group)
Vinf (m3/mol) 5.290993E-06 0.000004393397011 1.06306E-06 0.0000635
Qa 0.857715 0.712207 0.172331 10.36
B (Kelvin) D-group 700.671 700.671 700.671 0
alpha group 700.671 700.671 0 0
beta group 700.671 0 700.671 0
Na+ (group) 0 0 0 0
Cl- (group) 0 0 0 0
u00 (Kelvin) D -535.864 -535.864 -535.864 -277.068
alpha -535.864 -535.864 -2625.69 -277.068
beta -535.864 -2625.69 -535.864 -277.068
Na+ (group) -277.068 -277.068 -277.068 -468.877
Cl- (group) -277.068 -277.068 -277.068 -468.877
Frequency water 1 1 1 0
Na+ ion 0 0 0 1
Cl-ion 0 0 0 0
Charge 0 0 0 1
Sigma (meters) 1 1 1 2.536E-10
Dielectric coeff 1 -19.29050 0 0 0
Dielectric coeff 2 29814.5 0 0 0
Dielectric coeff 3 -0.019678 0 0 0
Dielectric coeff 4 0.00013189 0 0 0
Dielectric coeff 5 -0.0000003 0 0 0

x
T(K) P (Pa) H2O Na+ Cl-
373.331565497864 1.01E+05 1.00E+00 1.00E-04 1.00E-04
373.200461247694 1.01E+05 9.90E-01 5.10E-03 5.10E-03
372.447044086154 1.01E+05 9.80E-01 1.01E-02 1.01E-02
371.21701642726 1.01E+05 9.70E-01 1.51E-02 1.51E-02
369.561114846716 1.01E+05 9.60E-01 2.01E-02 2.01E-02
of unequal diameters

pecifications.

5 ???????

12.7

Cl- (group)
0.0000635 ???????
10.36
0
0
0 red: for now just arbitrary values
0
0
-277.068
-277.068
-277.068
-468.877
-468.877
0
0
1
-1
2.536E-10
0 Yellow: always zero
0
0 Green: always non-zero, any value
0
0

liquid ln fi y vapor ln fi
H2O Na+ Cl- H2O Na+ Cl- H2O Na+
Err:511 Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511 Err:511
Err:511 Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511 Err:511
Err:511 Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511 Err:511
Err:511 Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511 Err:511
Err:511 Err:511 Err:511 1.00E+00 1.00E-20 1.00E-20 Err:511 Err:511
Cl- delta ln fugacitydelta^2
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511

sum Err:511
Physical properties and phase equilibrium of petroleum fractions and lumps

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Bubble point of a mixture of carbon dioxide, n-hexane, and an oil fraction characterized by its norm

oil fraction Tb (K) SG

500 0.8045745 Specifed values of normal boiling point and specific gravity

R (bar.cm3/(mol.K)) 83.14

CO2 n-hexane oil fraction

Tc(K) 304.21 507.5 Err:511 Critical properties and acentric factor of the oil fraction computed
Pc(bar) 73.83 30.1 Err:511
omega 0.2236 0.299 Err:511 Souahi, F. and H. Kaabeche, Oil & Gas Science and Technology
kij 0 0 0
0 0 0
0 0 0

T (K) 400
P(bar) 5
Mole fractions ln phi
CO2 n-hexane oil fraction CO2 n-hexane oil fraction CO2
Liquid 0.05 0.7 0.25 Err:511 Err:511 Err:511 Err:511
Vapor 0.55 0.4 0.05 Err:511 Err:511 Err:511 Err:511

delta Err:511
delta ^ 2 Err:511

Isothermal flash calculation for a mixture of carbon dioxide, n-hexane, and an oil fraction character

Mole numbers
CO2 n-hexane oil fraction Total
Total 0.8 0.79 0.9 2.49
Liquid 0.2 0.64 0.85 1.69
Vapor 0.6 0.15 0.05 0.8

T (K) 350
P(bar) 5
Mole fractions ln phi
CO2 n-hexane oil fraction CO2 n-hexane oil fraction CO2
Liquid 0.1183432 0.3786982 0.50295858 Err:511 Err:511 Err:511 Err:511
Vapor 0.75 0.1875 0.0625 Err:511 Err:511 Err:511 Err:511
cterized by its normal boiling point and specific gravity

he oil fraction computed with the correlations published by:

cience and Technology – Rev. IFP, Vol. 63 (2008), No. 2, pp. 229-237.

ln fugacity
n-hexane oil fraction
Err:511 Err:511
Err:511 Err:511

Err:511 Err:511 Difference between ln fugacity in the liquid and vapor phases
Err:511 Err:511 The values above raised to power 2 so that all are not negative.

sum delta^2 Err:511 Use solver to minimize this cell by changing the blue cells

To avoid numerical problems, in Solver, do the following:

a) add constraints to force that all unknowns (blue cells) are
than a small number: 1e-08, for example;
b) in the Solver options, choose "Automatic scaling".

l fraction characterized by its normal boiling point and specific gravity

ln fugacity
n-hexane oil fraction delta G/(RT)
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511

Total (liquid+vapor) Err:511 Use solver to minimize this cell by changing the blue cells

To avoid numerical problems, in Solver, do the following:

a) add constraints to force that all unknowns (blue cells) are
than a small number: 1e-08, for example;
b) in the Solver options, choose "Automatic scaling".
ng the blue cells

do the following:
wns (blue cells) are

tic scaling".
IN PREPARATION
Azeotrope in the 2-propanol (1) + water (2) mixture
R (cal/(mol.K)) T(K)
1.987 353.15
2-propanol water
V (cm3/mol) 76.92 18.07
Binary interactions (cal/mol) 0.00 437.98
1238.00 0.00

Antoine A 16.6780 16.2887

Antoine B 3640.20 3816.44
Antoine C 53.54 46.13

Psat (kPa) 92.592233518746 47.375686734494

x1
0
0.005
0.01
0.015
0.02
0.025
0.03
0.035
0.04
0.045
0.05
0.055
0.06
0.065
0.07
0.075
0.08
0.085
0.09
0.095
0.1
0.105
0.11
0.115
0.12
0.125
0.13
0.135
0.14
0.145
0.15
0.155
0.16
0.165
0.17
0.175
0.18
0.185
0.19
0.195
0.2
0.205
0.21
0.215
0.22
0.225
0.23
0.235
0.24
0.245
0.25
0.255
0.26
0.265
0.27
0.275
0.28
0.285
0.29
0.295
0.3
0.305
0.31
0.315
0.32
0.325
0.33
0.335
0.34
0.345
0.35
0.355
0.36
0.365
0.37
0.375
0.38
0.385
0.39
0.395
0.4
0.405
0.41
0.415
0.42
0.425
0.43
0.435
0.44
0.445
0.45
0.455
0.46
0.465
0.47
0.475
0.48
0.485
0.49
0.495
0.5
0.505
0.51
0.515
0.52
0.525
0.53
0.535
0.54
0.545
0.55
0.555
0.56
0.565
0.57
0.575
0.58
0.585
0.59
0.595
0.6
0.605
0.61
0.615
0.62
0.625
0.63
0.635000000000001
0.640000000000001
0.645000000000001
0.650000000000001
0.655000000000001
0.660000000000001
0.665000000000001
0.670000000000001
0.675000000000001
0.680000000000001
0.685000000000001
0.690000000000001
0.695000000000001
0.700000000000001
0.705000000000001
0.710000000000001
0.715000000000001
0.720000000000001
0.725000000000001
0.730000000000001
0.735000000000001
0.740000000000001
0.745000000000001
0.750000000000001
0.755000000000001
0.760000000000001
0.765000000000001
0.770000000000001
0.775000000000001
0.780000000000001
0.785000000000001
0.790000000000001
0.795000000000001
0.800000000000001
0.805000000000001
0.810000000000001
0.815000000000001
0.820000000000001
0.825000000000001
0.830000000000001
0.835000000000001
0.840000000000001
0.845000000000001
0.850000000000001
0.855000000000001
0.860000000000001
0.865000000000001
0.870000000000001
0.875000000000001
0.880000000000001
0.885000000000001
0.890000000000001
0.895000000000001
0.900000000000001
0.905000000000001
0.910000000000001
0.915000000000001
0.920000000000001
0.925000000000001
0.930000000000001
0.935000000000001
0.940000000000001
0.945000000000001
0.950000000000001
0.955000000000001
0.960000000000001
0.965000000000001
0.970000000000001
0.975000000000001
0.980000000000001
0.985000000000001
0.990000000000001
0.995000000000001
1

Solubility of palmitic acid in ethanol

Original reference
Calvo, Beatriz, I. Collado, and E.A. Cepeda
Solubilities of Palmitic Acid in Pure Solvents and Its Mixtures
J. Chem. Eng. Data, 2009, 54 (1), 64-68.

Mr. Mohammed Faraj Al Falahi and Mr. Mohammed Al Shekaili assisted in the preparation of this example

A rigorous formula for solid solubilities in fluids is:

However, it is common to use the following simplified formula:

where the subscript "f" indicates fusion properties. This is the formula used here.

Activity coefficient calculations using the NRTL model.

Palmitic acid
delta hf (J/mol) 53711
Tf (K) 335.8

R (J/(mol.K))
8.314
Palmitic acid (1) ethanol (2)
0 0.3
alfa 0.3 0
0 -2111.4
Binary interactions (J/mol) 6427.06 0

Experimental Experimental Experimental Calculated

T (K) x1 x2 T (K)
292.85 0.0119 0.9881 290.392494534711
297.25 0.02 0.98 296.186581711772
301.65 0.0328 0.9672 301.526089877567
304.05 0.0429 0.9571 304.283448702454
306.55 0.0566 0.9434 306.983392311377
310.25 0.086 0.914 310.709562761076
312.05 0.1096 0.8904 312.660530277085
315.45 0.1649 0.8351 315.658828816064
317.95 0.2221 0.7779 317.76239525947
321.05 0.3115 0.6885 320.370022021704
322.95 0.3768 0.6232 322.089520554908
317.05 0.2053 0.7947 317.201237725718
319.25 0.2513 0.7487 318.668393711047
321.55 0.3241 0.6759 320.708955411174
Liquid mole fraction of palmitic acid

323.65 0.395 0.605 322.556041856114

0.45

0.4

0.35

0.3

0.25

0.2 Experimental
Calculated
0.15

0.1

0.05

0
285 290 295 300 305 310 315 320 325 330
Temperature (K)

VLE of acetone (1) + 2,3-butadione (2)

Original reference
Vapor-Liquid Equilibrium for Binary Systems of Diacetyl with Methanol and Acetone
Soni, M., D. Ramjugernath, and J.D. Raal
J. Chem. Eng. Data 2006, 51, 2083-2087

R (J/(mol.K))
8.314

alfa 0 0.3
0.3 0
Binary interactions (cal/mol) 0 -2724.817
3921.795 0

T(K) x1 x2 P1sat (kPa)

323.15 0.754 0.246 81.65
mixture

x2 lngamma1 lngamma2 gamma1 gamma2

1 Err:511 Err:511 Err:511 Err:511
0.995 Err:511 Err:511 Err:511 Err:511
0.99 Err:511 Err:511 Err:511 Err:511
0.985 Err:511 Err:511 Err:511 Err:511
0.98 Err:511 Err:511 Err:511 Err:511
0.975 Err:511 Err:511 Err:511 Err:511
0.97 Err:511 Err:511 Err:511 Err:511
0.965 Err:511 Err:511 Err:511 Err:511
0.96 Err:511 Err:511 Err:511 Err:511
0.955 Err:511 Err:511 Err:511 Err:511
0.95 Err:511 Err:511 Err:511 Err:511
0.945 Err:511 Err:511 Err:511 Err:511
0.94 Err:511 Err:511 Err:511 Err:511
0.935 Err:511 Err:511 Err:511 Err:511
0.93 Err:511 Err:511 Err:511 Err:511
0.925 Err:511 Err:511 Err:511 Err:511
0.92 Err:511 Err:511 Err:511 Err:511
0.915 Err:511 Err:511 Err:511 Err:511
0.91 Err:511 Err:511 Err:511 Err:511
0.905 Err:511 Err:511 Err:511 Err:511
0.9 Err:511 Err:511 Err:511 Err:511
0.895 Err:511 Err:511 Err:511 Err:511
0.89 Err:511 Err:511 Err:511 Err:511
0.885 Err:511 Err:511 Err:511 Err:511
0.88 Err:511 Err:511 Err:511 Err:511
0.875 Err:511 Err:511 Err:511 Err:511
0.87 Err:511 Err:511 Err:511 Err:511
0.865 Err:511 Err:511 Err:511 Err:511
0.86 Err:511 Err:511 Err:511 Err:511
0.855 Err:511 Err:511 Err:511 Err:511
0.85 Err:511 Err:511 Err:511 Err:511
0.845 Err:511 Err:511 Err:511 Err:511
0.84 Err:511 Err:511 Err:511 Err:511
0.835 Err:511 Err:511 Err:511 Err:511
0.83 Err:511 Err:511 Err:511 Err:511
0.825 Err:511 Err:511 Err:511 Err:511
0.82 Err:511 Err:511 Err:511 Err:511
0.815 Err:511 Err:511 Err:511 Err:511
0.81 Err:511 Err:511 Err:511 Err:511
0.805 Err:511 Err:511 Err:511 Err:511
0.8 Err:511 Err:511 Err:511 Err:511
0.795 Err:511 Err:511 Err:511 Err:511
0.79 Err:511 Err:511 Err:511 Err:511
0.785 Err:511 Err:511 Err:511 Err:511
0.78 Err:511 Err:511 Err:511 Err:511
0.775 Err:511 Err:511 Err:511 Err:511
0.77 Err:511 Err:511 Err:511 Err:511
0.765 Err:511 Err:511 Err:511 Err:511
0.76 Err:511 Err:511 Err:511 Err:511
0.755 Err:511 Err:511 Err:511 Err:511
0.75 Err:511 Err:511 Err:511 Err:511
0.745 Err:511 Err:511 Err:511 Err:511
0.74 Err:511 Err:511 Err:511 Err:511
0.735 Err:511 Err:511 Err:511 Err:511
0.73 Err:511 Err:511 Err:511 Err:511
0.725 Err:511 Err:511 Err:511 Err:511
0.72 Err:511 Err:511 Err:511 Err:511
0.715 Err:511 Err:511 Err:511 Err:511
0.71 Err:511 Err:511 Err:511 Err:511
0.705 Err:511 Err:511 Err:511 Err:511
0.7 Err:511 Err:511 Err:511 Err:511
0.695 Err:511 Err:511 Err:511 Err:511
0.69 Err:511 Err:511 Err:511 Err:511
0.685 Err:511 Err:511 Err:511 Err:511
0.68 Err:511 Err:511 Err:511 Err:511
0.675 Err:511 Err:511 Err:511 Err:511
0.67 Err:511 Err:511 Err:511 Err:511
0.665 Err:511 Err:511 Err:511 Err:511
0.66 Err:511 Err:511 Err:511 Err:511
0.655 Err:511 Err:511 Err:511 Err:511
0.65 Err:511 Err:511 Err:511 Err:511
0.645 Err:511 Err:511 Err:511 Err:511
0.64 Err:511 Err:511 Err:511 Err:511
0.635 Err:511 Err:511 Err:511 Err:511
0.63 Err:511 Err:511 Err:511 Err:511
0.625 Err:511 Err:511 Err:511 Err:511
0.62 Err:511 Err:511 Err:511 Err:511
0.615 Err:511 Err:511 Err:511 Err:511
0.61 Err:511 Err:511 Err:511 Err:511
0.605 Err:511 Err:511 Err:511 Err:511
0.6 Err:511 Err:511 Err:511 Err:511
0.595 Err:511 Err:511 Err:511 Err:511
0.59 Err:511 Err:511 Err:511 Err:511
0.585 Err:511 Err:511 Err:511 Err:511
0.58 Err:511 Err:511 Err:511 Err:511
0.575 Err:511 Err:511 Err:511 Err:511
0.57 Err:511 Err:511 Err:511 Err:511
0.565 Err:511 Err:511 Err:511 Err:511
0.56 Err:511 Err:511 Err:511 Err:511
0.555 Err:511 Err:511 Err:511 Err:511
0.55 Err:511 Err:511 Err:511 Err:511
0.545 Err:511 Err:511 Err:511 Err:511
0.54 Err:511 Err:511 Err:511 Err:511
0.535 Err:511 Err:511 Err:511 Err:511
0.53 Err:511 Err:511 Err:511 Err:511
0.525 Err:511 Err:511 Err:511 Err:511
0.52 Err:511 Err:511 Err:511 Err:511
0.515 Err:511 Err:511 Err:511 Err:511
0.51 Err:511 Err:511 Err:511 Err:511
0.505 Err:511 Err:511 Err:511 Err:511
0.5 Err:511 Err:511 Err:511 Err:511
0.495 Err:511 Err:511 Err:511 Err:511
0.49 Err:511 Err:511 Err:511 Err:511
0.485 Err:511 Err:511 Err:511 Err:511
0.48 Err:511 Err:511 Err:511 Err:511
0.475 Err:511 Err:511 Err:511 Err:511
0.47 Err:511 Err:511 Err:511 Err:511
0.465 Err:511 Err:511 Err:511 Err:511
0.46 Err:511 Err:511 Err:511 Err:511
0.455 Err:511 Err:511 Err:511 Err:511
0.45 Err:511 Err:511 Err:511 Err:511
0.445 Err:511 Err:511 Err:511 Err:511
0.44 Err:511 Err:511 Err:511 Err:511
0.435 Err:511 Err:511 Err:511 Err:511
0.43 Err:511 Err:511 Err:511 Err:511
0.425 Err:511 Err:511 Err:511 Err:511
0.42 Err:511 Err:511 Err:511 Err:511
0.415 Err:511 Err:511 Err:511 Err:511
0.41 Err:511 Err:511 Err:511 Err:511
0.405 Err:511 Err:511 Err:511 Err:511
0.4 Err:511 Err:511 Err:511 Err:511
0.395 Err:511 Err:511 Err:511 Err:511
0.39 Err:511 Err:511 Err:511 Err:511
0.385 Err:511 Err:511 Err:511 Err:511
0.38 Err:511 Err:511 Err:511 Err:511
0.375 Err:511 Err:511 Err:511 Err:511
0.37 Err:511 Err:511 Err:511 Err:511
0.365 Err:511 Err:511 Err:511 Err:511
0.36 Err:511 Err:511 Err:511 Err:511
0.355 Err:511 Err:511 Err:511 Err:511
0.35 Err:511 Err:511 Err:511 Err:511
0.345 Err:511 Err:511 Err:511 Err:511
0.34 Err:511 Err:511 Err:511 Err:511
0.335 Err:511 Err:511 Err:511 Err:511
0.33 Err:511 Err:511 Err:511 Err:511
0.325 Err:511 Err:511 Err:511 Err:511
0.32 Err:511 Err:511 Err:511 Err:511
0.315 Err:511 Err:511 Err:511 Err:511
0.31 Err:511 Err:511 Err:511 Err:511
0.305 Err:511 Err:511 Err:511 Err:511
0.3 Err:511 Err:511 Err:511 Err:511
0.295 Err:511 Err:511 Err:511 Err:511
0.29 Err:511 Err:511 Err:511 Err:511
0.285 Err:511 Err:511 Err:511 Err:511
0.28 Err:511 Err:511 Err:511 Err:511
0.275 Err:511 Err:511 Err:511 Err:511
0.27 Err:511 Err:511 Err:511 Err:511
0.265 Err:511 Err:511 Err:511 Err:511
0.26 Err:511 Err:511 Err:511 Err:511
0.255 Err:511 Err:511 Err:511 Err:511
0.25 Err:511 Err:511 Err:511 Err:511
0.245 Err:511 Err:511 Err:511 Err:511
0.24 Err:511 Err:511 Err:511 Err:511
0.235 Err:511 Err:511 Err:511 Err:511
0.23 Err:511 Err:511 Err:511 Err:511
0.225 Err:511 Err:511 Err:511 Err:511
0.22 Err:511 Err:511 Err:511 Err:511
0.215 Err:511 Err:511 Err:511 Err:511
0.21 Err:511 Err:511 Err:511 Err:511
0.205 Err:511 Err:511 Err:511 Err:511
0.2 Err:511 Err:511 Err:511 Err:511
0.195 Err:511 Err:511 Err:511 Err:511
0.19 Err:511 Err:511 Err:511 Err:511
0.185 Err:511 Err:511 Err:511 Err:511
0.18 Err:511 Err:511 Err:511 Err:511
0.175 Err:511 Err:511 Err:511 Err:511
0.17 Err:511 Err:511 Err:511 Err:511
0.165 Err:511 Err:511 Err:511 Err:511
0.16 Err:511 Err:511 Err:511 Err:511
0.155 Err:511 Err:511 Err:511 Err:511
0.15 Err:511 Err:511 Err:511 Err:511
0.145 Err:511 Err:511 Err:511 Err:511
0.14 Err:511 Err:511 Err:511 Err:511
0.135 Err:511 Err:511 Err:511 Err:511
0.13 Err:511 Err:511 Err:511 Err:511
0.125 Err:511 Err:511 Err:511 Err:511
0.12 Err:511 Err:511 Err:511 Err:511
0.115 Err:511 Err:511 Err:511 Err:511
0.11 Err:511 Err:511 Err:511 Err:511
0.105 Err:511 Err:511 Err:511 Err:511
0.1 Err:511 Err:511 Err:511 Err:511
0.095 Err:511 Err:511 Err:511 Err:511
0.09 Err:511 Err:511 Err:511 Err:511
0.085 Err:511 Err:511 Err:511 Err:511
0.08 Err:511 Err:511 Err:511 Err:511
0.075 Err:511 Err:511 Err:511 Err:511
0.07 Err:511 Err:511 Err:511 Err:511
0.065 Err:511 Err:511 Err:511 Err:511
0.06 Err:511 Err:511 Err:511 Err:511
0.055 Err:511 Err:511 Err:511 Err:511
0.05 Err:511 Err:511 Err:511 Err:511
0.045 Err:511 Err:511 Err:511 Err:511
0.04 Err:511 Err:511 Err:511 Err:511
0.035 Err:511 Err:511 Err:511 Err:511
0.03 Err:511 Err:511 Err:511 Err:511
0.025 Err:511 Err:511 Err:511 Err:511
0.02 Err:511 Err:511 Err:511 Err:511
0.015 Err:511 Err:511 Err:511 Err:511
0.01 Err:511 Err:511 Err:511 Err:511
0.005 Err:511 Err:511 Err:511 Err:511
0 Err:511 Err:511 Err:511 Err:511

d in the preparation of this example.

sed here.
Calculated Calculated Simplified solubility (Simplified solubility
ln (gamma1) ln (gamma1) equation equation)^2
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 Err:511

Sum of squares Err:511

Use Solver to minimize this cell by changing the blue cells
In this way, the temperatures of all data points are found in a
single operation.

Experimental
Calculated

320 325 330

and Acetone

P2sat (kPa) ln(gama1) ln(gama2) gama1 gama2

22.77 Err:511 Err:511 Err:511 Err:511
P (kPa) y1 y2
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 80
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 75
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
70
Err:511 Err:511 Err:511

P (kPa)
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 65
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 60
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 55
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
50
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 45
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511 40
Err:511 Err:511 Err:511 0 0.1 0.2 0.3 0.4 0.5 0.6
Err:511 Err:511 Err:511 x1,y1
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
Err:511 Err:511 Err:511
l by changing the blue cells
ll data points are found in a
P (kPa) y1 y2
Err:511 Err:511 Err:511
0.4 0.5 0.6 0.7 0.8 0.9 1
x1,y1

DixonCairncross KeyFinancialDataModelConsiderations Vegas2023
No ratings yet
DixonCairncross KeyFinancialDataModelConsiderations Vegas2023
44 pages
Glossary For Linear Algebra
No ratings yet
Glossary For Linear Algebra
39 pages
CSC TEC Exam Question Answer Key 2021
50% (2)
CSC TEC Exam Question Answer Key 2021
17 pages
LICENSE
No ratings yet
LICENSE
12 pages
License
No ratings yet
License
12 pages
License
No ratings yet
License
11 pages
Additional Licenses
No ratings yet
Additional Licenses
50 pages
LICENCE
No ratings yet
LICENCE
11 pages
LICENSE
No ratings yet
LICENSE
21 pages
LICENSE
No ratings yet
LICENSE
11 pages
Lgodissertation
No ratings yet
Lgodissertation
35 pages
License
No ratings yet
License
15 pages
license
No ratings yet
license
12 pages
atm hacking
No ratings yet
atm hacking
21 pages
Conninging
No ratings yet
Conninging
12 pages
LICENSE-GPL-3.0
No ratings yet
LICENSE-GPL-3.0
12 pages
license
No ratings yet
license
12 pages
License212
No ratings yet
License212
10 pages
license
No ratings yet
license
12 pages
LICENSE
No ratings yet
LICENSE
12 pages
LICENSE
No ratings yet
LICENSE
11 pages
License
No ratings yet
License
13 pages
Coo Oop Ying
No ratings yet
Coo Oop Ying
12 pages
License
No ratings yet
License
15 pages
License
No ratings yet
License
14 pages
COPYING
No ratings yet
COPYING
12 pages
license
No ratings yet
license
12 pages
1
No ratings yet
1
9 pages
license
No ratings yet
license
12 pages
parallel_iterative_deconvolution.LICENSE
No ratings yet
parallel_iterative_deconvolution.LICENSE
12 pages
Conninging
No ratings yet
Conninging
12 pages
Conninging
No ratings yet
Conninging
12 pages
Document Laws 3
No ratings yet
Document Laws 3
11 pages
license
No ratings yet
license
12 pages
License
No ratings yet
License
11 pages
license
No ratings yet
license
12 pages
License
No ratings yet
License
12 pages
Spoorthi
No ratings yet
Spoorthi
17 pages
License
No ratings yet
License
18 pages
GNU General Public License v3 (GPL3)
No ratings yet
GNU General Public License v3 (GPL3)
10 pages
License
No ratings yet
License
24 pages
License
No ratings yet
License
12 pages
The GNU General Public License v3.0 - GNU Project - Free Software Foundation
No ratings yet
The GNU General Public License v3.0 - GNU Project - Free Software Foundation
9 pages
Terms of Use
No ratings yet
Terms of Use
14 pages
LICENSE
No ratings yet
LICENSE
12 pages
License
No ratings yet
License
12 pages
License
No ratings yet
License
28 pages
License
No ratings yet
License
12 pages
License
No ratings yet
License
12 pages
Custom Desktop Logo - License
No ratings yet
Custom Desktop Logo - License
10 pages
License
No ratings yet
License
12 pages
third-party-programs
No ratings yet
third-party-programs
53 pages
License 3RD Party
No ratings yet
License 3RD Party
16 pages
Gplv3 Final Rationale: Free Software Foundation
No ratings yet
Gplv3 Final Rationale: Free Software Foundation
21 pages
QT
No ratings yet
QT
30 pages
Licenses
No ratings yet
Licenses
13 pages
Rmetrics - : Copy of The "GNU General Public License"
No ratings yet
Rmetrics - : Copy of The "GNU General Public License"
5 pages
COPYING
No ratings yet
COPYING
18 pages
LICENSE
No ratings yet
LICENSE
12 pages
LICENSE
No ratings yet
LICENSE
13 pages
Open Source Software Notice
No ratings yet
Open Source Software Notice
15 pages
Open Source: Introduction & Outline of Office Suite
From Everand
Open Source: Introduction & Outline of Office Suite
Durgesh
No ratings yet
Elements of Android Q
From Everand
Elements of Android Q
Mark Murphy
No ratings yet
Instant Download Java Cookbook Problems and Solutions for Java Developers Early Release Ian F. Darwin PDF All Chapters
No ratings yet
Instant Download Java Cookbook Problems and Solutions for Java Developers Early Release Ian F. Darwin PDF All Chapters
55 pages
Certificate For Initial Reading MCO IRO 11332
No ratings yet
Certificate For Initial Reading MCO IRO 11332
9 pages
Tutorial - Unit 2
No ratings yet
Tutorial - Unit 2
3 pages
Magic Card
No ratings yet
Magic Card
2 pages
Midterm Assignment
No ratings yet
Midterm Assignment
6 pages
ACC-224L Week-4-5 ULOb New
No ratings yet
ACC-224L Week-4-5 ULOb New
13 pages
HTML - Forms
No ratings yet
HTML - Forms
52 pages
Dynamic Testing Techniques (Black Box + White Box)
No ratings yet
Dynamic Testing Techniques (Black Box + White Box)
50 pages
PHD Course Work Jadavpur University
100% (2)
PHD Course Work Jadavpur University
8 pages
ABB PI Digital Product Datasheet EMS V4
No ratings yet
ABB PI Digital Product Datasheet EMS V4
2 pages
Concept Selection
100% (2)
Concept Selection
30 pages
4 Advantages of E-Rickshaw Lithium Battery
No ratings yet
4 Advantages of E-Rickshaw Lithium Battery
6 pages
Smart Cloudtalk
No ratings yet
Smart Cloudtalk
6 pages
Unit 4
No ratings yet
Unit 4
37 pages
European Vision For The 6G Network Ecosystem
No ratings yet
European Vision For The 6G Network Ecosystem
51 pages
(低压开关柜) Power Xpert DX-EN
No ratings yet
(低压开关柜) Power Xpert DX-EN
20 pages
Artificial Linguistic Internet Computer Entity
No ratings yet
Artificial Linguistic Internet Computer Entity
3 pages
Positive Displacement Pumps
100% (1)
Positive Displacement Pumps
20 pages
Hanaeni Services PVT - Ltd.-Translation Services
No ratings yet
Hanaeni Services PVT - Ltd.-Translation Services
15 pages
7.SAP2000 Report With Stiffener
No ratings yet
7.SAP2000 Report With Stiffener
36 pages
MHS PowerFlex 525 Programming Rev.1.2
No ratings yet
MHS PowerFlex 525 Programming Rev.1.2
21 pages
KDP-601AM DM Eng Manual
No ratings yet
KDP-601AM DM Eng Manual
6 pages
3D Printer Purchase Decision Matrix
No ratings yet
3D Printer Purchase Decision Matrix
3 pages
Bise Net
No ratings yet
Bise Net
17 pages
BUSI 650 - Week 3
No ratings yet
BUSI 650 - Week 3
7 pages
Stuvia
No ratings yet
Stuvia
2 pages
Pool of SEC - 21.6.23
No ratings yet
Pool of SEC - 21.6.23
3 pages