Lecture 7: Isothermal Flash Calculations

In this Lecture we’ll cover

• Show how DePriester charts are used to tabulate K-value data for
hydrocarbon systems

• Describe an isothermal flash separation

• Derive the Rachford-Rice equation
• Show how to use Newton’s method to find the roots of the RR equation
• Use the Rachford-Rice procedure, including Newton’s method and
DePriester equilibrium data to solve a hydrocarbon isothermal flash problem.

1
 DePriester
In order to carry out an analysis of a separation which uses differences in
K-values between two phases to cause a separation, we need a source of
K-values.
A lot of equilibrium (K-Value) information for binary systems is
often contained in vapor-liquid phase diagrams.

For hydrocarbon systems, interactions between molecules are very similar,

and consequently, the K-Values will not be a function of composition. K-Values
at different pressures and temperatures for hydrocarbons can thus be graphed
for multicomponent systems.

• One type of these graphs is called DePriester charts.

Lecture 7: Phase Equilibrium in Flowing Systems

2
 DePriester Charts: Low T

Lecture 7: Phase Equilibrium in Flowing Systems

3
 DePriester Charts: High T

Lecture 7: Phase Equilibrium in Flowing Systems

4
 DePriester Charts: High T

Lecture 7: Phase Equilibrium in Flowing Systems

5
 DePriester

Lecture 7: Phase Equilibrium in Flowing Systems

6
 Isothermal FlashConfiguration

Consider the following operation which produces a liquid-vapor equilibrium from a

liquid feed:

Flash Drum

Liquid Feed Vapor out

V, yi, TV, PV, hv
F, zi, TF, PF, hF
Q Liquid out
L, xi, TL, PL, hL

Flash drums. Vessels into which flow a mixture

For each stream:
n: molar flow rate: F, L, V
of liquid and vapor. The goal is to separate the
zi: composition variables: x,y,z vapor and liquid. For design calculations it is
T: temperature normally assumed that the vapor and liquid are
P: pressure in equilibrium with one another and that the
h: enthalpy vessel is adiabatic (no heat lost or gained).
Q: heat transfer

7
 Isothermal Flash Variables
Flash Drum
Liquid Feed Vapor out
V, yi, TV, PV, hv
F, zi, TF, PF, hF
Q Liquid out
L, xi, TL, PL, hL

For this system there are 3C+10 variables: F, V, L, TF, PF, TV, PV, TL, PL, Q, {xi , yi ,zi}C

If we specify F, zi, TF, PF we have specified (C+3) variables and

we can specify two additional variables.

Common Specifications:
TV,PV Isothermal Flash
V/F=0, PL Bubble-Point Temperature
V/F=1, PV Dew-Point Temperature
V/F=0, TL Bubble-Point Pressure
V/F=1, TV Dew-Point Pressure
Q=0, PV Adiabatic Flash
Q, PV Non adiabatic flash
V/F, PV Percent Vaporization Flash 8
 Isothermal Flash Equations

The two equations we need come from our assumption of thermal and mechanical
equilibrium in the drum.

TL  TV PL  PV
We have total material balance: FVL

We have component material balances, one for each component:

FZi  VYi  LXi

We have the mole fraction summations for each phase (or stream):
 Xi  1  Yi  1  Zi  1
i i i

In equilibrium, we have a K-value relationship for each component:

YiV
kiL,V 
XiL
9
 Rachford Rice Derivation

It is convenient to define the Vapor Fraction as follows:

V

F

Substituting into our total material balance:

L  F  F

For the component material balances:

V F  F
FZi  VYi  LXi Zi  Yi  Xi Zi  Yi  Xi  Xi
F F
Using the K-Value and solving for the liquid phase mole fraction:

Zi  Yi  Xi  Xi Zi  Ki Xi  Xi  Xi Zi

Xi 
K i  1  
Yi  K i Xi
We use the K-Value to get:
Ki Zi
Yi 
K i  1 
10
 Rachford Rice Equations

We use the mole fraction summations:

 Xi  1  Yi  1  Yi  Xi   0
i i i
Substituting in our expressions for the mole fractions:
Zi Ki Zi
Xi  Yi 
K i  1   K i  1 
Gives us the Rachford-Rice Equation:
 K Z Zi  Zi K i  1
  i i    0 f ( )   0
i K i  1   K i  1   i K i  1  

The roots of this equation give us the compositions, and vapor fraction of the
Isothermal Flash operation.

To solve this equation, we need to use some procedure for finding the roots:
• Iterative
• Graphical

11
 Newton’s Iterative Method

To solve the Rachford-Rice equation we can use Newton’s method to find :

Newton’s method estimates a better

 k 1   k 
 
f k
f '  k 
root using the last guess and the ratio
of the function to its derivative at that
guess:

Zi K i  1
 k
 Ki  1  1
 k 1   k  i
For the Rachford-Rice Equation
2
Zi K i  1
this becomes:

 
2
i  k Ki  1 1

12
 Rachford-Rice Procedure

The Rachford-Rice procedure using Newton’s method is then:

Step 1: TL  TV Thermal equilibrium

Step 2: PL  PV Mechanical equilibrium

Step 3: Solve Rachford-Rice for V/F where the K-values are determined by
TL, and PL.
Zi Ki  1
 0 Can use Newton’s method here.
i  K i  1 

Step 4: V  F Determine V
Zi Ki Zi
Steps 5 and 6: Xi  Yi 
K i  1   K i  1 
Step 7: L  F  F Determine L

Step 8: Q  Vhv  Lhl  Fh f Determine Q

13
 Example: Rachford-Rice

A flash chamber operating at 50ºC and 200kPa is separating 1000 kg moles/hr of a

feed that is 30 mole %propane, 10 % n-butane, 15 % n-pentane, and 45 % n-hexane.

What are the product compositions and flow rates?

1) Using the Depriester Chart we determine that:

K1 (propane) = 7.0
K2 (n-butane) = 2.4
K3 (n-pentane) = 0.80
K4 (n-hexane) = 0.30

2) We first write the Rachford-Rice Equation and substitute in the

composition and K-values:
V  Z i Ki  1
f   
i  K i  1  1
F 

V  0.37.0  1 0.1 2.4  1 0.150.8  1 0.45 0.3  1

f     
F   7.0  1  1  2.4  1  1   0.8  1  1  0.3  1  1

14
Depriester Determination of K-Values

15
 Example: Rachford-Rice
We can either plot the Rachford-Rice Equation as a function of V/F or use Newton’s
method: V  
Z K 1 
f    i i
F  i  K i  1  1

V  0.37.0  1 0.1 2.4  1 0.150.8  1 0.45 0.3  1

f     
F   7.0  1  1  2.4  1  1   0.8  1  1  0.3  1  1
Guess V/F=0.1
0.37.0  1 0.1 2.4  1 0.150.8  1 0.450.3  1
f  0.1      0.8785
0.17  1  1 0.1 2.4  1  1 0.10.8  1  1 0.10.3  1  1
To obtain a new guess we need the derivative of the RR equation:
V  0.37.0  12 0.12.4  1 2 0.150.8  1 2 0.450.3  12
f '     
F   7  1  12   2.4  1  12   0.8  1  12  0.3  1  12

2 2 2 2
0.37.0  1 0.1 2.4  1 0.150.8  1 0.450.3  1
f' 0.1     2  4.631
0.17  1  1 0.12.4  1  1 0.10.8  1  1 0.10.3  1  1
2 2 2

16
 Example: Rachford-Rice

So our next guess is

0.879
 2  0.1  0.29
4.631

0.37.0  1 0.12.4  1 0.150.8  1 0.450.3  1

f 0.29      0.329
0.297  1  1 0.292.4  1  1 0.290.8  1  1 0.290.3  1  1

To obtain a new guess we need the derivative of the RR equation:

2 2 2 2
0.37.0  1 0.12.4  1 0.150.8  1 0.450.3  1
f' 0.29     2  1.891
0.29 7  1  1 
2
0.29  2.4  1  1 
2
0.29  0.8  1  1 
2
0.290.3  1  1

0.329
 3  0.29   0.46
1.891

f 0.46  0.066 f ' 0.46   1.32

0.066
 4  0.46   0.51
1.32
f 0.51  0.00173
17
 Example: Rachford-Rice

So: V / F  0.51 V  510kg / hr

Zi Ki Zi
Using: Xi  Yi 
K i  1   Ki  1  

X1 (propane) = 0.0739 Y1 (propane) = 0.5172

X2 (n-butane) = 0.0583 Y2 (n-butane) = 0.1400
X3 (n-pentane) = 0.1670 Y3 (n-pentane) = 0.1336
X4 (n-hexane) = 0.6998 Y4 (n-hexane) = 0.2099

18
 Summary

In this lecture we discussed:

• Variables, Equations and degrees of freedom for an isothermal flash separation
• An isothermal flash configuration
• The derivation and solution of the Rachford Rice equation
• Newton’s iterative procedure to solve for the roots of the RR equation
• A numerical example to demonstrate this approach.

Next Lecture will cover:

• Bubble point pressure and Dew Point temperature calculations

19