SCRUBBER

Fast Chemical Reaction

Rating & Design

USER MANUAL

P & I Design Limited

2 Reed Street, Gladstone Industrial Estate,
Thornaby, TS17 7AF.
Tel: +44 (0) 1642 617444 Fax: +44 (0) 1642 616447
www.pidesign.co.uk
Support: [email protected]
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Fast Chemical Reaction Rating & Design

Contents

1.0 Introduction

2.0 Data Entry Rules

3.0 Model Conditions

3.1 Basic Considerations

4.0 Model Calculations

4.1 Physical Property Data
4.2 Inlet and Outlet Conditions
4.3 Circulating Liquor Parameters
4.4 Simplified Mass Transfer Theory
4.5 Number of Transfer Units
4.6 Height of a Transfer Unit
4.7 Column Diameter and Loading

5.0 Nomenclature

6.0 References

Appendix

Appendix 1 – Schematic Diagram of Packed Column

Appendix 2 – Data Input and Results Format

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1.0 Introduction

The software is designed to predict the performance of randomly packed wet gas scrubbing
columns operating counter currently at atmospheric pressure and involving mass transfer
by fast chemical reaction of binary systems.

The software can be used to predict and optimise the performance of an existing column or
for the design of a new column. The package is supported by an extensive physical
property database which is used to predict gas diffusivity, gas viscosity and allowable
scrubber outlet concentrations for the most common gas phase reaction species to be found
in the Fine Chemicals industry. The column design can be based on a specified pressure
drop per metre or as % flood; the calculated column diameter is then adjusted to satisfy
manufacturing constraints and the design is optimised.

The design liquor rate can be determined on column temperature rise from reaction
stoichiometry and heat of reaction or as a multiple design factor of minimum wetting rate.
The stoichiometric volume required is also calculated.

The database for the selected packing is based on Plastic Pall rings in the size range of
15mm to 89mm. Custom selection is also allowed.

The software platform is Microsoft Excel which allows the database for reactant species,
reactions and packings to be readily modified to meet specific customer requirements.

The software is intended as ‘task specific’ and does not allow for special features such as
unit change facilities or adjustment of correlation parameters.

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2.0 Data Entry Rules

The components to be processed are of two types and are entered as component name in
CAPS and with no spaces e.g. HYDROGENBROMIDE.

Gas Phase Inert Component

Provision is made for two components Nitrogen or Air.

Gas Phase Reactant

Once selection has been made the database automatically sets the design outlet
concentration based on LTEL (Reference 3) or odour threshold limit values. A design
factor allows for further adjustment if required.

Flows

The inert flow and reactant gas flows are entered in kg/hr. Validation has been set at a
minimum flow of 10 kg/hr for the inert flow to prevent calculation error messages.

Once the flows are entered the inlet concentration is calculated.

Liquid Phase Reactant

The gas phase reactant selection sets the liquid phase reactant automatically to allow
prediction of reaction stoichiometry and heat of reaction.

Some gas phase reactants e.g. Amines allow for a selection of scrubbing liquor to be made,
select accordingly.

If gas evolution from the reaction is specified in kg the design stoichiometric volume will
be calculated.

Liquor rate can be determined on column temperature rise or as a multiple of MWR, select
accordingly.

Entering the design maximum temperature rise of liquid across the column sets an initial
liquid rate. Depending upon the application it may be desirable to set the liquor rate as a
multiple factor of the Minimum Wetting Rate subject to satisfying the stoichiometric
requirements.

Packing

Select packing to be used or input customer specified parameters in the units specified.

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2.0 Data Entry Rules (Cont.)

Operation of Software

It must be appreciated that the calculations interact as the design is optimised. The column
diameter effects the liquid loading and hence the minimum wetting rate which in turn
effects the gas loading and column pressure drop. The height of a transfer unit (HTU) is
also effected by the gas loading.

The designer should ensure on completion of design that all parameters e.g. diameter, %
flood, liquor rate, are consistent i.e. % flood fields equal, liquor rate as required and
diameter fields within range.

Design

Set Rating at NO (CAPS)

If a packed height entered this will be ignored.

Set an initial column diameter. The predicted flood is displayed for this diameter.

If design is based on DESIGN FLOODING set design flood value. Column design results
will display relevant column diameter.

The design liquid rate will be based on design MWR factor or design temperature.

The Initialisation column diameter is now reset to proposed design and the design is
optimised by manual iteration until Design Flood, Predicted Flood and Design Liquid rate
parameters are satisfactory.

If the design is based on Pressure Drop / metre of packing the flooding parameter is
automatically set based on column diameter. The same optimisation procedure is followed
as before.

Rating

Set Rating at YES (CAPS)

Set Loading Optimisation at Design Flooding.

Set Liquor Rate is based on temperature rise or design MWR as desired.

Adjust Design Flood to equal Predicted Flood and reset Liquor Rate to maintain desired
value.

Repeat procedure until the model is optimised.

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3.0 Model Conditions

3.1 Basic Considerations

The model is based on the specific case of absorption with fast chemical reaction. This
special case assumes that the concentration of reactant gas at the interface is ‘0’ and that
liquid phase resistance to transfer is ‘0’. The model presupposes that there is adequate
reactant available i.e. liquid rate and composition of reacting component in the liquid, to
satisfy the stoichiometric requirement of the reactant gas phase load.

The column loading and mass transfer coefficient are based on conditions at the gas inlet.
The model is therefore based on a constant temperature and gas mass flowrate throughout
the column. In the case of absorption of gas streams with low concentrations of reactant in
the gas phase, as is found in environmental scrubbing of Local Extract Ventilation systems,
the model conditions are satisfied.

However, in the case of absorption of gas streams with a high concentration of reactant in
the gas phase, as is found on reaction vent systems, the model is conservative, i.e.
overpredicts the packed height requirement, which is safe. The justification for this claim is
as follows:-

Temperature Variation (Reference 1, p45)

The overall gas phase mass transfer coefficient Kg varies with temperature
1
Kg  0.56
T

Increasing film temperature decreases Kg. This effect is offset by the dependency of gas
diffusivity on temperature where

D  T1.75 and K g  D 0.5

Combining the two effects provides the relationship

K g  T 0.315

Increasing the temperature results in a marginal increase in Kg of 2 to 5% in the operating

range 20 to 80°C.

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3.1 Basic Considerations (Cont.)

Gas Flow Variation (Reference 2, p57)

The height of a transfer unit is given by

G
HTU  where G  v the velocity
K g a P - p lm

The term (P – p)lm approaches unity for dilute gas streams and becomes significant for
concentrated gas streams.

Now it can be shown K g  v 0.75 (Refer section 4.6)

Decreasing gas velocity v decreases the mass transfer coefficient Kg.

Combining the two effects provides the relationship

HTU  v 0.25

Decreasing gas velocity results in a decrease in the HTU. The HTU could be calculated in
stages up the tower resulting in a lower packed height requirement. This approach has not
been adopted as it is recognised that the correlation for Kg prediction requires a minimum
Reynolds number to be achieved which is probably not achieved towards the top of the
tower, i.e. streamline flow prevails at some point. This maldistribution will result in an
effective increase in the HTU requirement which is difficult to quantify and in any event a
minimum of 600mm distribution allowance is recommended to be included in the design
packed height. The distribution allowance should be reviewed for each application.

The velocity used for the Reynolds number prediction is based on

v  v g  vl
The model assumes liquid velocity vl = 0 since at high velocities the correction is negligible
and at low velocities the gas may be in streamline flow as discussed above.

It is recognised that the model is not based on a rigorous analysis of the physical factors
involved. However, the main application is on multipurpose fine chemicals processes which
by their nature have a wide variation in operating conditions which at the design stage may
not even be identified.

The packed height prediction is conservative for concentrated gas streams as no allowance is
made for the increase of (P – p)lm up the tower and this is justified as the increase in cost
involved represents a small percentage of the total cost of the facility, probably less than
5%.

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4.0 Model Calculations

4.1 Physical Property Predictions

Gas Diffusion Coefficient (Reference 4, p3-285)

The diffusion coefficient DAB for a binary mixture of gases A and B may be estimated from
the Fuller, Schettler and Giddings Relationship.

10 3 T1.75 M A  M B /M A M B  ½

D AB 

P  A 1/3
  B  
1/3 2
cm 2 / sec

where T temperature °K
P pressure atm
MA and MB molecular weights of components A & B
A and B are the atomic diffusion volumes of components A & B

The program uses the atomic diffusion volumes as detailed in Table 3-342 in Reference 4.
This relationship will predict DAB to within 5 to 10% over the normal operating temperature
range for wet gas scrubbing at atmospheric pressure.

Gas Viscosity (Reference 5)

The gas viscosity is predicted using the general purpose Chemcad Library equation 102. The
number of coefficients required for this equation are 2 or 3.

All units are in SI and T is always in °K, vapour viscosity is in Pa–sec.

A x TB
Viscosity Y
 C
1  
 T

Where A, B and C are coefficients for the gas reactant species from the Chemcad Databank.

The program uses the viscosity of the gas mixture at the inlet conditions where for species i

 y i  i M i  ½
1
 y i M i  ½

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4.2 Inlet and Outlet Conditions

The reactant species A and flowrate WA in kg/hr is entered and molecular weight
MA kg/kmole is read from the physical property database (PPD).

The inert species B and flowrate WB in kg/hr is entered and molecular weight MB kg/kmole
is read from PPD.

WA / M A
Inlet mole fraction of A yA 
WA / M A  WB /M B

Inlet mole fraction of B yB  1 yA

WA  WB
Mean molecular weight M AB 
WA / M A  WB /M B

M AB  273 
Inlet gas density 1   
22.4  273  T 

where system pressure P = 1 bara and system temperature T °K.

The gas inlet concentration of component A in mg/m3 is given by

 M  273  mg
Inlet concentration Component A  y A 10 6  A  
 22.4  273 x T  m3

The outlet concentration of component A is read from PPD.

If the LTEL value is given in EH40 (Reference 3) this is read directly. If only STEL is
available this value is taken and 0.10 (STEL) is read. For malodorous components such as
amines the low odour threshold value is taken.

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4.3 Circulating Liquor Parameters

4.3.1 Liquor Composition

The liquor composition is set by the program based on reactant species A. This selection is
set as follows:-

REACTANT GAS REACTANT LIQUOR (% W/W)

AMMONIA 10% H2SO4 / Water
BROMINE 10% NaOH / Water
CARBONDIOXIDE 10% NaOH / Water
CHLORINE 10% NaOH / Water
HYDROGENBROMIDE 10% NaOH / Water
HYDROGENCHLORIDE 10% NaOH / Water
HYDROGENSULPHIDE 10% NaOH / Water
NITROGENDIOXIDE Water
NITRICOXIDE Water
SULPHURDIOXIDE 10% NaOH / Water
SULPHURTRIOXIDE 10% NaOH / Water
THIONYLCHLORIDE 10% NaOH / Water
TRIETHYLAMINE 16% H3PO4 / Water or 10% NaOCl / Water
BUTYLAMINE 16% H3PO4 / Water or 10% NaOCl / Water

Based on the reaction selected the heat of reaction is set from the PPD.

Facility is available to make liquor selection for the Amines only.

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4.3 Circulating Liquor Parameters (Cont.)

4.3.2 Liquor Rate

If the heat of reaction is significant the liquor rate is set using the liquor temperature rise
across the column as the basis:-
 H R WA / M A 
Liquor rate Wl 
 
(t1  t 2 ) C p l

Where
H R  heat of reaction kcal/kmole
WA / M A  component A flowrate kmoles/hr
t1 - t 2  liquor temperature rise K
C p l  liquor specific heat kcal/kg K

Heat of dilution and heat losses are ignored.

The stoichiometric requirement is calculated based on the molar flowrate of component A.

WA (n l M l ) kg
Stoichiometric rate Wl 
M A C P l 0.01 hr

Where Ml  molecular weight of reacting component in liquor.

nl  kmoles reactant in liquor/kmole reactant gas.

The wetting rate in the column is a function of the column diameter and the packing
characteristics.

Wetting rate = Liquid Rate m3 / h m2

Packing Specific Area m2 / m3

4 Wl m3

 d 2 l a hm
Minimum wetting rate = 0.0792 m3 / h m for Plastic Pall rings which is taken as a constant

MWR factor = Wetting Rate

0.0792

The design MWR factor applied will depend on the specific application but should be
greater than 1.3.

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4.3 Circulating Liquor Parameters (Cont.)

4.3.3 Liquor Stoichiometric Volume

The liquor volume to satisfy stoichiometric requirements is calculated from the mass of
reactant gas predicted release.

Let wA = mass reactant gas evolved kg

nl = moles reactant liquor required mole/mole
cl = concentration of reactant in liquor %

w A nl Ml
Stoichiometric volume  m3
M A C l 0.01  l

The actual circulation tank volume selected will depend on the number of reactions to be
carried out without a liquor change, heat balance considerations and the safety factor applied
for moles of liquid reactant left remaining.

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4.4 Simplified Mass Transfer Theory (Reference 6)

In Figure 1 we consider the rate of absorption across an element dz in a tower of area A and
with a packing specific volume a.

Na dz  K g aP (y  y*) dz  GA dy  LA dx

It can be shown that

G dy dy
Packed height Z 
K g ap (y  y*)
where  (y  y*)

is defined as the number of overall gas transfer units (NTU) and represents an integrated
value of the number of times the driving force must be divided into the change in gas
concentration. It therefore describes the difficulty of the separation.

 G 
The group   is defined as the height of a transfer unit (HTU).
 K g aP 
 

Packed height Z = NTU x HTU.

For the special case of absorption followed by fast chemical reaction (Reference 2, page 94)
where y* = 0.
 ln(1  y1 ) 
Nog = ln  
 ln(1  y 2 ) 

This expression is accurate for gas compositions varying over a wide range and for low
concentrations reduces to

y 
Nog = ln  1 
 y2 

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4.5 Number of Transfer Units (NTU)

To predict the NTU the program uses

 ln 1  y1  
NTU  N og  ln  
 ln 1  y 2  

Thus calculation of the inlet mole faction y1 of the reactant gas and the selection of the
design outlet mole faction y2 sets the NTU.

To predict the outlet concentration of an existing tower the effective NTU is calculated from
the HTU and the existing packed height minus an allowance for distribution.

The outlet concentration is calculated from

 ln 1  y1  
y 2  exp  
 exp NTU 

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4.6 Height of a Transfer Unit (HTU)

The height of a transfer unit is given by (Reference 2, page 98)

G
HTU 
K g a P - p lm

Morris and Jackson (Reference 1, page 12)

A correlation has been developed for predicting the gas film coefficient in a falling film
tower of 1 in diameter.

The equation has the form in c.g.s units

 v g 
K g  0.04   Re -0.25 Sc -0.5 (Drift Factor)

 P 
Where,

g = density of soluble gas at temperature and total pressure of the gas mixture g/cm2
vd  
Reynolds Number Re  Schmidt Number Sc 
 D
v = gas velocity relative to liquid surface cm/s

d = diameter of falling film tower cm

 = density of gas mixture g/cm3

 = viscosity of gas mixture g/cm s

D = absolute gas diffusion coefficient cm2/s

P = total pressure (1 in program) atm

Kg = gas film coefficient g/s cm2 atm

The correlation is valid for conditions of turbulent flow (Re > 5000).

In the literature the Re exponent varies between –0.17 and –0.25, thus the correlation value
is conservative. The Sc exponent varies between –0.5 to –0.56, however, Morris and
Jackson (Reference 2) consider –0.5 to be more appropriate for absorption.

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4.6 Height of a Transfer Unit (HTU) (Cont.)

P
Drift Factor =
P - p lm
Where p = partial pressure of reactant gas in atmospheres.
`
pg  pi
P - plm 
 P  pi 
ln  
 P - pg 
 

Where pg and pi are the actual and interfacial partial pressures of the soluble gas
respectively.

For the special case of fast chemical reaction pi = 0 and for a system pressure of P = 1 we
have
y1 Note p1 = y1
P - plm 
 1 
ln 
 1 - y1 

Where y1 is the inlet mole fraction of reactant gas.

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4.6 Height of a Transfer Unit (HTU) (Cont.)

WS Norman (Reference 2, pages 57, 212)

The program uses the Morris and Jackson gas film coefficient correlation in the following
modified form where the units for Kg are lb mole/hr ft2 atm and the Reynolds number
dimension parameter d = 0.083 ft representing the falling film column diameter.

0.25 0.5
v  vd     P
Kg = 0.04    
RT     D  p BM

lb mole
Kg = gas film coefficient
hr ft 2 atm

ft 3 atm
R = gas constant = 1.314
lb mole K

T = absolute temperature °K

ft
v = gas velocity
hr

lb
 = viscosity
ft hr

lb
 = density of gas mixture
ft 3

ft 2
D = diffusivity
hr

P = total pressure of system (program value 1.0) atm

d = 0.083 (laboratory column diameter) ft

pBM = mean partial pressure of inert gas in gas film atm

y1
where p BM  for p i  0
 1 
ln 
 1 - y1

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4.6 Height of a Transfer Unit (HTU) (Cont.)

The gas velocity v is assumed to be equal to the velocity in the empty tower divided by
fractional voidage of the packing ().

Where
v  v g  vl v l  0 assumed 
vg ft
v 
3600  sec

Program equations uses

Wt 3.281 ft
v 
t A  sec
Wt 0.025
Re 
 A

To scale up from the falling film column a gas film packing factor Rg, to compensate for the
increase in turbulence in a packed tower, is applied to give a corrected gas film coefficient.

Kcg = Rg x Coefficient in 1 in diameter falling film tower

Kcg = Rg x Kg

For random rings Rg varies from 2.5 to 3.3 (Reference 1, Table 6). The program uses a
value of 3.0 which is conservative.

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4.7 Column Diameter and Loading

The pressure drop is stated in mm wc/metre packed height.

The following correlations are used:-

4mm wc / m 0.1 < X < 0.4 Y = X + 3.58

0.4 < X < 1.44 Y = 1.39881X + 3.4

8mm wc / m 0.1 < X < 0.448 Y = 0.9821X + 2.68

0.448 < X < 2.0 Y = 1.5493X + 2.38

21mm wc / m 0.096 < X < 0.544 Y = 1.1397X + 2.12

0.544 < X < 2.248 Y = 1.6153X + 1.85

42mm wc / m 0.08 < X < 0.672 Y = 0.99702X + 1.83

0.672 < X < 2.248 Y = 1.52284X + 1.46

Flood Y = 1.40381X + 1.26

Loading optimisation allows selection of a fixed pressure drop/metre or a design % flood.

To determine the initial diameter, coordinate X is calculated from the selected liquor rate L
from which is determined by linear extrapolation of boundary Y values. This provides a
close fit above 21 mm/m and is slightly high for lower values.

The program calculates

 
1
 g l   g 9.81  2 kg
G '   

 Y F
4 0.12
 sec m 2

Wt
Area A m2
3600 G '
0.5
4 
d  1000  A  mm
 

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4.7 Column Diameter and Loading (Cont.)

The column diameter and loading is determined from the generalised pressure drop
L
correlation due to Sherwood Eckert in the form (Reference 7, Figure 4).
G
The graph axes are defined as follows:-

1
L g 2
X  dimensionless
G l 
 

Y

  g l  g g  4
  dimensionless
  
 G ' 2 F  0.12 

cps

Calculations are performed in metric units.

F = packing factor m-1

g = gravitational constant = 9.81 m/sec2
G’ = gas mass velocity kg / sec m2
ρg = average gas density (at operating conditions) kg /m3
ρl = liquid density (at operating conditions) kg /m3
 = liquid viscosity cps

Curves are presented for different pressure drops in mm wc/m packed height namely
4, 8, 21, 42 mm/m, flood. Each curve is broken down into two straight line equations to
enable model predictions to be made.

To calculate the flooding velocity for system parameter X we have

At flood Y = 1.40381X + 1.26

As before G’ at flood is calculated and hence flooding velocity for the diameter selected.

actual gas velocity

% Flood 
flood velocity

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5.0 Nomenclature

A = cross-sectional area of column m2

a = interfacial surface area of packing per unit tower volume m2 / m3
D = diffusivity m2 / sec
d = column diameter mm
F = packing factor m-1
G = superficial molar gas mass flux Mole / sec.m2
G’ = superficial gas mass flux Kg / sec.m2
HTU = height of a transfer unit m
Kg = overall gas-phase mass-transfer coefficient Mole / sec.m2 ( N / m2 )
Kcg = corrected gas-phase mass-transfer coefficient Mole / sec.m2 ( N / m2 )
kg = gas-phase mass-transfer coefficient Mole / sec.m2 ( N / m2 )
L = superficial molar liquid mass flux Mole / sec.m2
L’ = superficial liquid mass flux Kg / sec.m2
M = molecular weight kg/kmole
N = mass transfer flux at, and relative to, a phase boundary Moles /sec.m2
NTU = number of transfer units dimensionless
P = total pressure N / m2
p = partial pressure of gas N / m2
pBM = log mean partial pressure of inert gas in gas film N / m2
R = gas constant m3 ( N / m2 ) / Mole.K
Rg = gas-film packing factor dimensionless
T = absolute temperature °K
W = flowrate kg/hr
x = concentration in liquid mole fraction
y = concentration in gas mole fraction
Z = packed height m
 = density kg / m3
v = gas velocity m / sec
 = viscosity kg / sec.m
 = atomic diffusion volume
 = fractional void volume in a dry packed bed, volume voids/volume bed, dimensionless
Re = Reynolds Number, d /  dimensionless
Sc = Schmidt Number,  / D dimensionless
Subscripts
A, B = Component A, Component B
g = gas-phase
i = interface
l = liquid-phase
lm or BM = log mean value
O = overall coefficient
t = total
1 = inlet
2 = outlet
Superscripts
* = equilibrium value

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6.0 References

1. Morris, G.A., and Jackson , J. “Absorption Towers”

Buttersworths Scientific Publications
(The British Library Reference WQ6 7604)

2. Norman, W.S. “Absorption, Distillation and Cooling Towers”

Longmans 1962
(The British Library Reference W36 7183)

3. UK Health and Safety Executive “Occupational Exposure Limits 1999”

EN 40/99, HMSO

4. Perry, Robert H. “Chemical Engineers Handbook”

6th Edition, McGraw-Hill

5. Chemcad Version 4 Physical Property Data Bank

Chemstations Inc.

6. Birmingham University, Gas Scrubbing

April 1986 (I.Chem.E. approved course)

7. ETA Tower Packings, 1983

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Appendix I

Schematic Diagram of Packed Column

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Schematic Diagram of Packed Column

G’2 L’1
y2 x1

y - dy x

dz

y x - dx

G’1 L’2
y1 x2

Column Area A
Packing specific volume a

Na dz  K g aP (y  y*) dz  GA dy  LA dx

MNL102A 02/03
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Appendix II

Data Input and Results Format

MNL102A 02/03
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MNL102A 02/03
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