TRW 01

ESTIMATING BINARY INTERACTION
PARAMETER FOR PENG ROBINSON

EOS
By CheGuide | January 16, 2016 | Comments0 Comment
This article shows how to estimate binary interaction parameter (BIP) used in Peng
Robinson (PR) Equation of State (EOS) from experimental data by regression in excel
spreadsheet.
Example
Determine binary interaction parameter used in Peng Robinson EOS for a mixture of
acetone and chloroform from Tx-y experimental data available at 101.33 kPa.
Obtain pure component properties like critical temperature (Tc), critical pressure (Pc)
and accentric factor from literature. Experimental K1 is determined from x, y data.
K1Experimental = y1 / x1
Peng Robinson EOS parameters are calculated.
i = 0.37464 + 1.54226 - 0.26992

i = [ 1 + i (1 - (T/Tc)0.5)]
ai = 0.45724 (RTc) / Pc
bi = 0.07780 RTc / Pc
Mixture parameters are calculated next
a12= [(a1.a2)0.5(1 - k12)] = a21

a = a1.x1 + 2.a12.x1.x2 + a2.x2
b = b1.x1 + b2.x2
A = aP/(RT)
B = bP/RT
where k12 is Binary Interaction Parameter (BIP) to be estimated. For first run, use a
guess value to start calculation.
Following cubic equation is solved to get ZL.
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Above equation can be written as
Z + C2.Z + C1.Z + C0 = 0
Solving Cubic Equation

Cubic equation is solved using following procedure. Calculate Q1, P1 & D.
Q1 = C2.C1/6 - C0/2 - C2/27

P1 = C2/9 - C1/3
D = Q1 - P1
If D >= 0, then equation has only one real root provided by
Z1 = (Q1 + D0.5)1/3 + (Q1 - D0.5)1/3 - C2/3
If D < 0, then equation has 3 real roots, following parameters are calculated
t1 = Q1 / P1
t2 = (1 - t1)0.5 / t10.5. Q1/abs(Q1)
= atan(t2)
Roots are calculated as following
Z0 = 2.P10.5.cos(/3) - C2/3
Z1 = 2.P10.5.cos(( + 2*)/3) - C2/3
Z2 = 2.P10.5.cos(( + 4*)/3) - C2/3
Roots thus calculated are arranged in descending order, highest root gives ZV and lowest
root gives ZL.
Fugacity
Based on ZL, liquid fugacity iL is calculated for each data set.
In next step, Vapor phase fugacity is calculated. Mixture properties are estimated as
following
a = a1.y1 + 2.a12.y1.y2 + a2.y2

b = b1.y1 + b2.y2
A = aP/(RT)
B = bP/RT
Cubic equation is solved as per method shown above to get ZV.
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Based on ZV, vapor fugacity iV is calculated for each data set.

K1 is calculated as:
K1Calculated = 1L/1V
Difference of K1Experimental and K1Calculated is obtained for all data points. An objective
function is defined as summation of all these differences. Click on Solver in Data
Ribbon (Excel 2010) to open dialog box for Solver parameters and input data as shown
below.
Minimize the objective function by changing values of kij. Uncheck Make

Unconstrained Variables Non-Negative, as k12 can take negative value. Click solve to
start regression and new value k12 is calculated.
k12 = -0.0605
Above value is then used to calculate y1 values and results are plotted to check the
deviation.
Example
Determine temperature dependent binary interaction parameter used in Peng Robinson
EOS ( k12 = k1 + k2.T + k3/T ) for a mixture of acetone and n-Hexane from P x-y
experimental data available at 318.15 K.
Follow above steps to calculate pure component and mixture parameters. Change
formula for kij to make it temperature dependent. As an initial guess put values for 3
parameters (k1,k2,k3) which gives a numeric difference value. In solver select these 3
variables to be varied for minimizing the difference value and then solve it. After doing
regression binary interaction parameters are obtained and result is plotted as following.
k1 = -0.0218
k2 = 3.142x10-4
k3 = 10.155
Note : In case of non-convergence, try different initial guess values for kij and then let
solver obtain optimized values.
Spreadsheet for Regressing BIP for Peng Robinson EOS
PT FLASH CALCULATION USING PR EOS
PT FLASH CALCULATION USING PR

EOS
By CheGuide | December 26, 2015 | Comments5 Comments
PT Flash calculation determines split of feed mixture F with a molar composition Zi,
into Vapor V and Liquid L at pressure P and temperature T. These calculations can be
done in a excel spreadsheet using Peng Robinson Equation of State (PR EOS). To start
with bubble point pressure (PBubble) and dew point pressure (PDew) are determined
for feed mixture.
P < PDew, Mixture exists as super-heated vapor.
P > PBubble, Mixture exists as sub-cooled liquid.
PDew < P < PBubble, mixture exist in vapor and liquid phase.
Initial guess of vapor fraction V and Ki is made as following.
V = (PBubble - P)/(PBubble - PDew)

Ki = exp[ ln(Pc/P) + ln(10)(7/3)(1 + )(1-Tc/T)]
Based on initial Ki values, iteration is done to get value of V which satisfies material
balance on system.
Yi = Ki.Xi
1 = V + L
Zi = V.Yi + L.Xi
where V & L are vapor and liquid fractions. Solving above equations for Xi gives :
Xi = Zi / ( V.( Ki - 1) + 1 )
At Flash conditions
Yi - Xi = 0
Above equation can be solved by iteration using Newton Raphson method. Function
F(V) is defined as:
F(V) = Yi - Xi
F(V) = [Zi (Ki - 1)/( V.(Ki - 1) + 1)]
Derivative of F(V) is calculated as:
F'(V) = -[Zi(Ki - 1) /( V.(Ki - 1) + 1)]
New estimate of vapor fraction is calculated as:
V New = V - F(V)/F'(V)
Function F(V) and F'(V) are calculated based on new vapor fraction and this process is
repeated till there is negligible difference in between V and VNew. Vapor fraction thus
obtained is then used to estimate vapor and liquid molar composition (Yi & Xi).
Iteration for Ki
Vapor (Yi) and Liquid (Xi) mol fractions estimated above are used to generate values
for Ki. Parameters for Peng Robinson EOS are calculated for each component i.
i = 0.37464 + 1.54226 - 0.26992

i = [ 1 + i (1 - (T/Tc)0.5)]
ai = 0.45724 (RTc) / Pc
bi = 0.07780 RTc / Pc
iL Calculation
Mixture parameters are calculated.
aij = [(ai.aj)0.5(1 - kij)] = aji

a = ij aij.Xi.Xj
b = i bi.Xi
A = aP/(RT)
B = bP/RT
where, kijs are Binary Interaction Parameter available from literature. Following cubic
equation is solved to get ZL.
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Roots calculated are arranged in descending order, highest root gives ZV and lowest root
gives ZL.
Based on ZL, liquid fugacity iL is calculated for each component.

iV Calculation
Mixture parameters are calculated.
a = ij aij.Yi.Yj
b = i bi.Yi
A = aP/(RT)
B = bP/RT
Cubic equation is solved to get ZV.
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Based on ZV, vapor fugacity iV is calculated for each component.
Ki is calculated as:
Ki = iL/iV
New values of Ki thus calculated are again used to estimate V and thereafter Xi & Yi.
Iteration is repeated till there is no further change in Ki values. Typically, in 10
iterations change in Ki values become negligible.
Spreadsheet
All above calculations along with iterative procedure for flash calculation have been
provided in below spreadsheet.
Spreadsheet for PT Flash calculation using PR EOS
DEW T FLASH USING PR EOS
DEW T FLASH USING PR EOS

Dew T flash calculation determine dew point temperature (T) and liquid mol fraction
(Xi) for a mixture at given pressure (P) and vapor mol fraction (Yi). These calculations
can be performed in excel spreadsheet using Peng Robinson Equation of State (PR
EOS).
Estimate temperature T and liquid mol fraction (Xi). T can be estimated as following
T = Tisat Xi
Tisat = Tc/[ 1 - 3.ln(P/Pc)/(ln(10).(7 + 7)) ]
where Pc, Tc and are critical constants for a component i. Liquid mol fraction is
estimated as following
Xi = Yi/Ki
First iteration starts with estimated T and Xi. Parameters for Peng Robinson EOS are
calculated for each component i.
i = 0.37464 + 1.54226 - 0.26992

i = [ 1 + i (1 - (T/Tc)0.5)]
ai = 0.45724 (RTc) / Pc
bi = 0.07780 RTc / Pc
aij = [(ai.aj)0.5(1 - kij)] = aji

a = ij aij.Yi.Yj
b = i bi.Yi
A = aP/(RT)
B = bP/RT
where, kijs are Binary Interaction Parameter available from literature.

Following cubic equation is solved to get ZV.
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Z + C2.Z + C1.Z + C0 = 0

Q1 = C2.C1/6 - C0/2 - C2/27

P1 = C2/9 - C1/3
D = Q1 - P1
Z1 = (Q1 + D0.5)1/3 + (Q1 - D0.5)1/3 - C2/3
t1 = Q1 / P1
t2 = (1 - t1)0.5 / t10.5. Q1/abs(Q1)
= atan(t2)
Z0 = 2.P10.5.cos(/3) - C2/3
Z1 = 2.P10.5.cos(( + 2*)/3) - C2/3
Z2 = 2.P10.5.cos(( + 4*)/3) - C2/3
root gives ZL.
Fugacity
As a next step, Liquid phase fugacity is calculated. Mixture properties are estimated as
following
a = ij aij.Xi.Xj
b = i bi.Xi
A = aP/(RT)
B = bP/RT
Cubic equation is solved as per method shown above to get ZL.
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Liquid phase mol fraction is calculated as
Xi = Yi.iV/iL
New values of Xi thus calculated are again used to estimate iL and thereafter Xi. This
iteration is repeated till there is no further change in Xi values. Typically, in 25
iterations change in Xi values become negligible.
At the end of iteration Xi is calculated, if it is close to 1, results are obtained. If not,

new value of T is estimated such that Xi is close to 1. In excel it can be achieved by
using GOAL SEEK function, in which T value is changed to make summation equal to
1.
Note
For some initial values of Temperature, Xi become equal to Yi and summation Xi
becomes 1, it happens when initial guess for T falls in critical region. For such cases use
different value of temperature, such that summation is not equal to 1 and then use Excel
GOAL SEEK function to estimate Dew Point Temperature and liquid mol fractions Xi.
Spreadsheet
modeled in below spreadsheet.
Spreadsheet for Dew T Flash using PR EOS
BUBBLE T FLASH USING PR EOS
BUBBLE T FLASH USING PR EOS

By CheGuide | December 12, 2015 | Comments0 Comment
Bubble T flash calculation determine bubble point temperature (T) and vapor mol
fraction (Yi) for a mixture at given pressure (P) and liquid mol fraction (Xi). These
calculations can be performed in excel spreadsheet using Peng Robinson Equation of
State (PR EOS).
Estimate temperature T and vapor mol fraction (Yi). T can be estimated as following
T = Tisat Xi
Tisat = Tc/[ 1 - 3.ln(P/Pc)/(ln(10).(7 + 7)) ]
where Pc, Tc and are critical constants for a component i. Vapor mol fraction is
Yi = Ki Xi
First iteration starts with estimated T and Yi. Parameters for Peng Robinson EOS are
i = 0.37464 + 1.54226 - 0.26992
i = [ 1 + i (1 - (T/Tc)0.5)]
ai = 0.45724 (RTc) / Pc
bi = 0.07780 RTc / Pc
aij = [(ai.aj)0.5(1 - kij)] = aji

a = ij aij.Xi.Xj
b = i bi.Xi
A = aP/(RT)
B = bP/RT

Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Z + C2.Z + C1.Z + C0 = 0

Q1 = C2.C1/6 - C0/2 - C2/27

P1 = C2/9 - C1/3
D = Q1 - P1
Z1 = (Q1 + D0.5)1/3 + (Q1 - D0.5)1/3 - C2/3
t1 = Q1 / P1
t2 = (1 - t1)0.5 / t10.5. Q1/abs(Q1)
= atan(t2)
Z0 = 2.P10.5.cos(/3) - C2/3
Z1 = 2.P10.5.cos(( + 2*)/3) - C2/3
Z2 = 2.P10.5.cos(( + 4*)/3) - C2/3
root gives ZL.
Fugacity
As a next step, Vapor phase fugacity is calculated. Mixture properties are estimated as
following
a = ij aij.Yi.Yj
b = i bi.Yi
A = aP/(RT)
B = bP/RT
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Vapor phase mol fraction is calculated as
Yi = Xi.iL/iV
New values of Yi thus calculated are again used to estimate iV and thereafter Yi. This
iteration is repeated till there is no further change in Yi values. Typically, in 25
iterations change in Yi values become negligible.
At the end of iteration Yi is calculated, if it is close to 1, results are obtained. If not,

new value of T is estimated such that Yi is close to 1. In excel it can be achieved by
using GOAL SEEK function, in which T value is changed to make summation equal to
1.
Note
For some initial values of Temperature, Yi become equal to Xi and summation Yi
becomes 1, it happens when initial guess for T falls in critical region. For such cases use
different value of temperature, such that summation is not equal to 1 and then use Excel
GOAL SEEK function to estimate Bubble Point Temperature and vapor mol fractions
Yi.
Spreadsheet
Spreadsheet for Bubble T Flash using PR EOS
SPECIFIC HEAT RATIO OF REAL GAS
SPECIFIC HEAT RATIO OF REAL GAS

Equation of state is used to derive variety of thermodynamic properties. This article
illustrate calculation of specific heat ratio from Peng Robinson Equation of state.
Example
Calculate specific heat ratio ( = Cp/Cv ) for methane gas at 11 Bar & 300 K. Critical
constants for Methane are as following
Critical temperature, Tc : 190.6K

Critical Pressure, Pc : 46.002 bar
Accentric Factor, : 0.008
Ideal gas specific heat constants CpIG = A + B.T + C.T + D.T are as following
A = 4.5980
B = 0.0125
C = 2.86 x 10-6
D = -2.7 x 10-9
where Cp is in cal/mol-K
Peng Robinson equation of state is defined as
P = RT / (V - b) - a / [V(V + b) + b(V - b)]
where
ac = 0.45723553 RTc/Pc
b = 0.077796074 RTc/Pc
m = 0.37464 + 1.54226 - 0.26992
a = ac[1 + m(1 - (T/Tc)0.5)]
Above equation is translated into polynomial form and solved for values of Z using
Newton-Raphson method.
Z - (1 - B)Z + Z (A - 2B - 3B) - (AB - B - B) = 0

Z = PV/RT
A = aP/ (RT)
B = bP/ RT
Following partial derivatives are required for calculating thermodynamic properties.
First derivative is obtained by differentiation of P with respect to V at constant T.
(P/ V)T = -RT/(v - b) + 2a(v + b)/[v(v + b) + b(v - b)]

(P/ V)T = -0.00485 bar/(cm3/mol)
Second derivative is obtained by differentiation of P with respect to T at constant V.
(P/ T)V = R/(v - b) - a'/[v(v + b) + b(v - b)]

(a/ T)V = -mac/[(TTc)0.5(1 + m( 1 - (T/Tc)0.5))]
(P/ T)V = 0.039 bar/K
(T/ P)V = 25.814 K/bar
Third derivative is obtained by differentiation of V with respect to T at constant P.
(V/ T)P = (R/P)[ T(Z/T)P + Z]

(Z/ T)P = Num / Denom
Num = (A/T)P (B-Z) + (B/T)P(6BZ+2Z-3B-2B+A-Z)
Denom = 3Z&sup2 + 2(B-1)Z + (A-2B-3B)
where,
(A/T)P = (P/(RT))(a' - 2a/T)

(B/T)P = -bP/(RT)
Calculation of Heat Capacities
Ideal gas heat capacity CpIG is calculated at 300 K from polynomial equation provided
above. Specific heat at constant volume for ideal gas, CvIG is calculated using following
relation.
CvIG = CpIG - R
Residual heat capacity at constant volume Cv R is calculated from internal energy U R as

following.
CvR = (UR/T)V
UR = [(Ta'-a)/b(8)0.5] ln[(Z+B(1+20.5))/(Z+B(1-20.5))]
CvR = [Ta"/b(8)0.5] ln[(Z+B(1+20.5))/(Z+B(1-20.5))]
where,
a" = ac m (1 + m)(Tc/T)0.5/ (2TTc)
Specific heat capacity at constant pressure and volume is calculated using following
equation.
CpR = CvR + T(P/T)V(V/T)P - R

Cp = CpIG + CpR
Cv = CvIG + CvR
Specific heat ratio is obtained as :
= Cp / Cv
= 1.338
Spreadsheet for Specific heat ratio calculaton from Peng Robinson EOS
DEW P FLASH USING PR EOS
DEW P FLASH USING PR EOS

By CheGuide | December 6, 2015 | Comments0 Comment
Dew P flash calculation determine dew point pressure (P) and liquid mol fraction (Xi)
for a mixture at given temperature (T) and vapor mol fraction (Yi). These calculations
can be performed in excel spreadsheet using Peng Robinson Equation of State (PR
EOS).
Estimate pressure P and liquid mol fraction (Xi). P can be estimated as following
P = 1/ Yi/ Pisat
Pisat = exp[ ln(Pc) + ln(10)(7/3)(1 + )(1-Tc/T)]
where Pc, Tc and are critical constants for a component i. Liquid mol fraction is
Xi = Yi/Ki
First iteration starts with estimated P and Xi. Parameters for Peng Robinson EOS are
i = 0.37464 + 1.54226 - 0.26992

i = [ 1 + i (1 - (T/Tc)0.5)]
ai = 0.45724 (RTc) / Pc
bi = 0.07780 RTc / Pc
aij = [(ai.aj)0.5(1 - kij)] = aji

a = ij aij.Yi.Yj
b = i bi.Yi
A = aP/(RT)
B = bP/RT

Following cubic equation is solved to get ZV.
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Z + C2.Z + C1.Z + C0 = 0

Q1 = C2.C1/6 - C0/2 - C2/27

P1 = C2/9 - C1/3
D = Q1 - P1
Z1 = (Q1 + D0.5)1/3 + (Q1 - D0.5)1/3 - C2/3

t1 = Q1 / P1
t2 = (1 - t1)0.5 / t10.5. Q1/abs(Q1)
= atan(t2)
Z0 = 2.P10.5.cos(/3) - C2/3
Z1 = 2.P10.5.cos(( + 2*)/3) - C2/3
Z2 = 2.P10.5.cos(( + 4*)/3) - C2/3
root gives ZL.
Fugacity
As a next step, Liquid phase fugacity is calculated. Mixture properties are estimated as
following
a = ij aij.Xi.Xj
b = i bi.Xi
A = aP/(RT)
B = bP/RT
Cubic equation is solved as per method shown above to get ZL.
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Liquid phase mol fraction is calculated as
Xi = Yi.iV/iL
New values of Xi thus calculated are again used to estimate iL and thereafter Xi. This
iteration is repeated till there is no further change in Xi values. Typically, in 25
iterations change in Xi values become negligible.
At the end of iteration Xi is calculated, if it is close to 1, results are obtained. If not,

new value of P is estimated such that Xi is close to 1. In excel it can be achieved by
using GOAL SEEK function, in which P value is changed to make summation equal to
1.
Note
For some initial values of Pressure, Xi become equal to Yi and summation Xi becomes
1, it happens when initial guess for P falls in critical region. For such cases use lower
value of pressure such that summation is not equal to 1 and then use Excel GOAL
SEEK function to estimate Dew Point Pressure and liquid mol fractions Xi.
Spreadsheet
Spreadsheet for Dew P Flash using PR EOS
BUBBLE P FLASH USING PR EOS
BUBBLE P FLASH USING PR EOS

Bubble P flash calculation determine bubble point pressure (P) and vapor mol fraction
(Yi) for a mixture at given temperature (T) and liquid mol fraction (Xi). These
calculations can be performed in excel spreadsheet using Peng Robinson Equation of
State (PR EOS).
Estimate pressure P and vapor mol fraction (Yi). P can be estimated as following
P = Pisat Xi
Pisat = exp[ ln(Pc) + ln(10)(7/3)(1 + )(1-Tc/T)]
where Pc, Tc and are critical constants for a component i. Vapor mol fraction is
Yi = Ki Xi
First iteration starts with estimated P and Yi. Parameters for Peng Robinson EOS are
i = 0.37464 + 1.54226 - 0.26992

i = [ 1 + i (1 - (T/Tc)0.5)]
ai = 0.45724 (RTc) / Pc
bi = 0.07780 RTc / Pc
aij = [(ai.aj)0.5(1 - kij)] = aji

a = ij aij.Xi.Xj
b = i bi.Xi
A = aP/(RT)
B = bP/RT

Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Z + C2.Z + C1.Z + C0 = 0

Q1 = C2.C1/6 - C0/2 - C2/27

P1 = C2/9 - C1/3
D = Q1 - P1
Z1 = (Q1 + D0.5)1/3 + (Q1 - D0.5)1/3 - C2/3
t1 = Q1 / P1
t2 = (1 - t1)0.5 / t10.5. Q1/abs(Q1)
= atan(t2)
Z0 = 2.P10.5.cos(/3) - C2/3
Z1 = 2.P10.5.cos(( + 2*)/3) - C2/3
Z2 = 2.P10.5.cos(( + 4*)/3) - C2/3
root gives ZL.
Fugacity
As a next step, Vapor phase fugacity is calculated. Mixture properties are estimated as
following
a = ij aij.Yi.Yj
b = i bi.Yi
A = aP/(RT)
B = bP/RT
Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0
Vapor phase mol fraction is calculated as
Yi = Xi.iL/iV
New values of Yi thus calculated are again used to estimate iV and thereafter Yi. This
iteration is repeated till there is no further change in Yi values. Typically, in 25
iterations change in Yi values become negligible.
At the end of iteration Yi is calculated, if it is close to 1, results are obtained. If not,

new value of P is estimated such that Yi is close to 1. In excel it can be achieved by
using GOAL SEEK function, in which P value is changed to make summation equal to
1.
Note
For some initial values of Pressure, Yi become equal to Xi and summation Yi becomes
1, it happens when initial guess for P falls in critical region. For such cases use lower
value of pressure such that summation is not equal to 1 and then use Excel GOAL
SEEK function to estimate Bubble Point Pressure and vapor mol fractions Yi.
Spreadsheet
Spreadsheet for Bubble P Flash using PR EOS

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ESTIMATING BINARY INTERACTION

PARAMETER FOR PENG ROBINSON

Peng Robinson EOS parameters are calculated.

i = 0.37464 + 1.54226 - 0.26992

Mixture parameters are calculated next

a12= [(a1.a2)0.5(1 - k12)] = a21

Following cubic equation is solved to get ZL.

Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Above equation can be written as

Solving Cubic Equation

Q1 = C2.C1/6 - C0/2 - C2/27

If D >= 0, then equation has only one real root provided by

Z1 = (Q1 + D0.5)1/3 + (Q1 - D0.5)1/3 - C2/3

Roots are calculated as following

a = a1.y1 + 2.a12.y1.y2 + a2.y2

Cubic equation is solved as per method shown above to get ZV.

Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Based on ZV, vapor fugacity iV is calculated for each data set.

Minimize the objective function by changing values of kij. Uncheck Make

Spreadsheet for Regressing BIP for Peng Robinson EOS

PT FLASH CALCULATION USING PR EOS

PT FLASH CALCULATION USING PR

Initial guess of vapor fraction V and Ki is made as following.

V = (PBubble - P)/(PBubble - PDew)

Derivative of F(V) is calculated as:

F'(V) = -[Zi(Ki - 1) /( V.(Ki - 1) + 1)]

New estimate of vapor fraction is calculated as:

i = 0.37464 + 1.54226 - 0.26992

Mixture parameters are calculated.

aij = [(ai.aj)0.5(1 - kij)] = aji

Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Based on ZL, liquid fugacity iL is calculated for each component.

Mixture parameters are calculated.

Cubic equation is solved to get ZV.

Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Based on ZV, vapor fugacity iV is calculated for each component.

Spreadsheet for PT Flash calculation using PR EOS

DEW T FLASH USING PR EOS

DEW T FLASH USING PR EOS

i = 0.37464 + 1.54226 - 0.26992

Mixture parameters are calculated next

aij = [(ai.aj)0.5(1 - kij)] = aji

where, kijs are Binary Interaction Parameter available from literature.

Above equation can be written as

Solving Cubic Equation

Q1 = C2.C1/6 - C0/2 - C2/27

If D >= 0, then equation has only one real root provided by

Z1 = (Q1 + D0.5)1/3 + (Q1 - D0.5)1/3 - C2/3

Roots are calculated as following

Cubic equation is solved as per method shown above to get ZL.

Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Based on ZL, liquid fugacity iL is calculated for each component.

Liquid phase mol fraction is calculated as

At the end of iteration Xi is calculated, if it is close to 1, results are obtained. If not,

Spreadsheet for Dew T Flash using PR EOS

BUBBLE T FLASH USING PR EOS

BUBBLE T FLASH USING PR EOS

Mixture parameters are calculated next

aij = [(ai.aj)0.5(1 - kij)] = aji

where, kijs are Binary Interaction Parameter available from literature.

Z + (B-1)Z + (A-3B -2B)Z + (B+B-AB) = 0

Above equation can be written as

Solving Cubic Equation