Lecture 5: Isothermal Flash Calculations

In the last lecture we:

• Described energy and entropy balances in flowing systems

• Defined availability and lost work
• Derive a Gibbs Phase Rule for flowing systems
• Described system specification
• Showed how DePriester charts are used to tabulate K-value data for
hydrocarbon systems

In this lecture we’ll:

• 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.

Lecture 5: Isothermal Flash Calculations 1

 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

For each stream:

n: molar flow rate: F, L, V
zi: composition variables: x,y,z
T: temperature
P: pressure
h: enthalpy
Q: heat transfer

Lecture 5: Isothermal Flash Calculations 2

 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

We showed in the last lecture that there are C+5 degrees of freedom.
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
Lecture 5: Isothermal Flash Calculations V/F, PV Percent Vaporization Flash 3
 Isothermal Flash Equations
If we specify the F =C +5 variables F, Tv, Pv, TF , PF , Zi

Then remaining (C +1)π +3=2C +5 variables must be found from:

Equations
A) mole fraction summations π

B) K-Value relationships (π −1)C Note that if T and P of each

product stream are not
C) Mass balances C considered as variables, then
we wouldn’t have equations
for thermal and mechanical
D) Energy balance 1 equilibrium in the drum.

E) Thermal and mechanical equilibrium 2(π −1)

Total 2C +5

If less than C+5 variables are specified, then the system is undetermined (underspecified).
If more than C+5 variables are specificed, then the system is overdetermined (overspecified).

Lecture 5: Isothermal Flash Calculations 4

 Isothermal Flash Equations
We have 2C+5 variables to determine from 2C+5 equations. The expression
ε =Cπ +π +1
gives the total number of equations for this system of 2C+3 (the system creates a two-
phase equilibrium). The two additional equationswe 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 = L
Xi
Lecture 5: Isothermal Flash Calculations 5
 Rachford Rice Derivation

It is convenient to define the Vapor Fraction as follows:

V
ψ =
F

Substituting into our total material balance:

L =F −ψF

For the component material balances:

V F −ψF
FZi =VYi +LXi Zi = Yi + Xi Zi =ψYi +Xi −ψXi
F F
Using the K-Value and solving for the liquid phase mole fraction:

Zi =ψYi +Xi −ψXi Zi =ψKi Xi +Xi −ψXi Zi

Xi =
ψK i +1−ψ
Yi =K i Xi
We use the K-Value to get:
Ki Zi
Yi =
ψK i +1−ψ
Lecture 5: Isothermal Flash Calculations 6
 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 =
ψK i +1−ψ ψK i +1−ψ
Gives us the Rachford-Rice Equation:
⎛ KZ Zi ⎞ Zi (K i −1)
∑⎜ i i − ⎟ =0 f(ψ ) =∑ =0
i ⎝ψK i +1−ψ ψK i +1−ψ ⎠ i ψK i +1−ψ

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

Lecture 5: Isothermal Flash Calculations 7

 Newton’s Iterative Method

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

Newton’s method estimates a better f (ψ k )

root using the last guess and the ratio ψ k+1 =ψ k −
of the function to its derivative at that f' (ψ k )
guess:

Zi (K i −1)
∑ k
ψ (Ki −1) +1
ψ k+1 =ψ k + i
For the Rachford-Rice Equation
this becomes: 2
Zi (K i −1)
∑ 2
i (ψ k (Ki −1) +1)

Lecture 5: Isothermal Flash Calculations 8

 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) Can use Newton’s method here.
∑ =0
i ψK i +1−ψ

Step 4: V =Fψ Determine V

Zi Ki Zi
Steps 5 and 6: Xi = Yi =
ψK i +1−ψ ψK i +1−ψ
Step 7: L =F −ψF Determine L

Step 8: Q =Vhv +Lhl −Fhf Determine Q

Lecture 5: Isothermal Flash Calculations 9
 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 ⎞ Zi (Ki −1)
f ⎜ ⎟ =∑
⎝F ⎠ ψ (K i −1) +1
i

⎛V ⎞ 0.3(7.0−1) 0.1(2.4−1) 0.150.8−1

( ) 0.450.3−1
( )
f⎜ ⎟ = + + +
⎝ F ⎠ ψ (7.0−1) +1 ψ (2.4−1) +1 ψ (0.8−1) +1 ψ (0.3−1) +1

Lecture 5: Isothermal Flash Calculations 10

 Depriester Determination of K-Values

Lecture 5: Isothermal Flash Calculations 11

 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 ψ (K i −1) +1

⎛V ⎞ 0.3(7.0−1) 0.1(2.4−1) 0.150.8−1

( ) 0.450.3−1
( )
f⎜ ⎟ = + + +
⎝ F ⎠ ψ (7.0−1) +1 ψ (2.4−1) +1 ψ (0.8−1) +1 ψ (0.3−1) +1
Guess V/F=0.1
0.3(7.0−1) 0.1(2.4−1) 0.150.8−1
( ) 0.450.3−1
( )
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 0.150.8−1
( )2 0.450.3−1
( )2
f' ⎜ ⎟ = + + +
⎝ F ⎠ [ψ (7 −1) +1]2 [ψ (2.4−1)+1]2 [ψ (0.8−1) +1]2 [ψ (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 + 2 + 2 + 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]

Lecture 5: Isothermal Flash Calculations 12

 Example: Rachford-Rice

So our next guess is

2 0.879
ψ =0.1+ =0.29
4.631

0.3(7.0−1) 0.1(2.4−1) 0.150.8−1

( ) 0.450.3−1
( )
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) 0.150.8−1
( ) 0.45(0.3−1)
f' (0.29) = 2 + 2 + 2 + 2 =1.891
[0.297
( −1) +1] [ 0.29(2.4−1) +1] [ 0.29(0.8−1) +1] [ 0.290.3−1
( ) +1]

3 0.329
ψ =0.29+ =0.46
1.891

f (0.46) =0.066 f' (0.46) =1.32

4 0.066
ψ =0.46+ =0.51
1.32
f (0.51) =0.00173
Lecture 5: Isothermal Flash Calculations 13
 Example: Rachford-Rice

So: V / F =0.51 V =510kg/ hr

Zi Ki Zi
Using: Xi = Yi =
ψK i +1−ψ ψK i +1−ψ

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

Lecture 5: Isothermal Flash Calculations 14

 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

Lecture 5: Isothermal Flash Calculations 15