Thermo II Paper

Property methods Analysis
A Computational Project
By
Code instructions
Pv
1. Insert Tc (critical temperature), Pc (critical pressure), omega (accentric factor) and Tf (freezing)
for whatever chemical compound is desired.
2. Click the button as directed on the sheet and navigate to sheet 2 to see the vh and vl and to sheet 3
to see the data points.
Pxy /Txy
1. Specific mixtures
a. Click the button on the spreadsheet
2. General
a. Insert Tc (critical temperature), Pc (critical pressure), infdilgamma (gamma at infinite
dilution) A, B, C (Antoines constants), T(K) (of the system), P(bar) (of the system) and
omega (accentric factor).
b. Click the buttons on the spreadsheet.
Introduction
A computational look at calculating isotherms over a P-V graph and T-x-y and P-x-y data
analysis was performed. The property calculations were done with a verity of equations of state and other
property methods. Two approaches will be looked at. The first is the use of a simple program created in
visual basic with an interface through excel. The second is to produce the same data from ASPIN plus.
The data was then compared and an analysis done comparing the different models.
Coding Procedure
PV
The purpose of the PV diagram was to create the vapor-liquid equilibrium dome, along with ten
isotherms, from the Soave Redlich Kwong (SRK) equation of state (EOS).
When programming, the first thing that was done was dimming the variables appropriately. If arrays are
needed, or depending on the accuracy needed, dim as singles or doubles. Then data needs to be pulled
from the spreadsheet. After this is done, the programming for the diagram can begin.
Ten isotherms were required. This diagram is for vapor-liquid equilibrium, thus the minimum temperature
that could exist would be the freezing point. Equal intervals were desired and a For loop was used to
divide the temperature from the freezing point to the critical point into six equal sections, but then more
sections of the same programming format were added above the six sections in order to account for the
three isotherms needed above the vl equilibrium dome. These values were stored in the isotherm array on
Sheet 3.
The roots of the SRK then need to be found in order to find the edge volumes of the dome. This was done
by calculating the first derivative of the SRK EOS. Within SRK there are a,b and alpha terms, a and b are
constant for the species, but alpha changes with temperature. All of these values are calculated within the
program.
The root finder was done using the SRKROOT function. This was done using trigonometric method. We
began by defining P, Q and R in terms of R, T Psat, alpha, av and bv. In order to use the trigonometric
method, 120 degrees needed to be converted to radians. The terms of the equation are put into the
compressed cubic form of z3+az+b=0 and then set z3=ucos, where u satisfies the identity 4cos3 -3coscos(3)=0. A and B from the program are defined in terms of P, Q and R from the above definitions.
This function will solve for the roots of the cubic function using cosine and then will test for the
realness of the roots. This was the best method to choose because it allowed for not using imaginary
numbers which excel cannot deal with.
Once the roots have been found, those are the bounds for vh and vl. The isotherms are graphed using
SRK, by plugging the isotherm value from the top of the program and plugging it in as the T value.
The last part corrects for the isotherm within the dome. While SRK will continue to predict a downward
trend, within the VLE dome, the pressure will stay constant. The loop just states the SRK should account
for the pressure if the v is located outside of the dome, and if v is located within the dome, p=psat.
The last part of the program outputs the data onto sheet 3, in order to display what is being graphed.
This was the best way to approach the data because finding the roots of the SRK EOS allowed us to find
the limits of the VLE dome and the isotherms then allowed us to chart the points within in the dome and
outside of the dome, and it is general enough that any chemical will work. While this program is lengthy,
it is much quicker than would be expected.
T-x-y
For the Txy diagram, we input the specified P and Tc, Pc, gamma at infinite dilution and Antoines
constants. We used the van Laar adjustment for gamma.
Next, Tsat was calculated using Antoines equation and the specified pressure. dT is set to a value of zero
and then an while loop is initiated. The loop says that while dT is greater than the small tolerance set at
the beginning, a new temperature needs to be calculated by using Psat and gamma. This calculated T is
output into the spreadsheet.
Next, x is specified. Antoines equation is calculated using the constants and the T of the system just
found, Tsat. Then, gamma is calculated using the van laar excess gibbs energy. Finally, y1 is calculated
using y=x1*gamma*Psat1/P. The data is then output to the spreadsheet.
This method was the best approach because it was very simple. Using Tsat and specifying x allows the
user to very easily calculate the Txy diagram. Since the program is so simple, the program is quick.
P-x-y
For the Pxy diagram, we approached the code by inputting T, which was specified, Tc, Pc, gamma at
infinite dilution, Antoines constants and omega. Using the constants, we calculated a,b and alpha for the
SRK EOS.
Again, gamma was adjusted from the infinite dilution at 350 K. Limits from the Pv program were
calculated with the aim of getting Psat out of the program. The program through the line
Psat(i)=Psatguess is a mirror of the Pv program.
Next, x is specified in order to find bubble pressure. Gamma is then calculated for component one and
component two. P is calculated using RLA, P(i)=x1*gamma1*Psat(1)+x2*gamma2*Psat(2). Then a while
loop is initiated in order to find where y1 and y2 create a zero difference, that is, when dP is smaller
than the very small tolerance set at the beginning of the program. Once the loop is completed, then the
last calculated P is the pressure of the system. These values are outputted into the spreadsheet.
Next, y is specified in order to find dew temperature. Gamma is also specified as a guess. P is calculated
using the equation, ( )
. X is guessed using the y, P, Psat and gamma.

( )
( )
Gamma is then recalculated using the new x guesses. P is reiterated using the new gammas with the
specified ys. Here again a while loop is initiated to find where the gamma does not change, which
verifies the guess for x. Once gamma values are found, they are plugged into the formula for P, above,
and a P for the system is calculated. This is within the same type of dP loop as found in the first part of
the program. Once dP is equal to zero, then a value for the system is verified.
The functions on the bottom of the page are support for the SRKROOT function used to find the bubble
pressure.
The equations used were RLA , SRK EOS, summing of the two components of the system to find the
totally pressure of the system, the calculation of gamma.
This was the best method because iterations were used in order to get the best answer. This program is
also much quicker than calculating by hand, but does take a little bit of time since so many iterations are
done within the loops.
Both the Txy and the Pxy could be easily adapted to other chemical mixtures by inputting the proper
tabulated data into the spreadsheet.
Aspen Procedure
To plot an Isotherm across a P-V diagram using ASPIN the first step is to set up a block flash
tank. I had one stream feeding in and an overhead and bottoms coming out for the vapor and liquid
streams respectively. After the flash tank has been created the next step is to set up the specifications.
Setting the global settings to make sure that the run type is a flow sheet and units are set to SI. Next is
defining the components. This P-V diagram is a single component, Glyoxal. The SRK property method is
then selected in the properties tab. Then the flash tanks, or block, properties are defined. Under flash
specifications the temperature and pressure of the system can be defined and manipulated. This is where
the input for different isotherms is entered. Under the Model Analysis Tools tab Sensitivity then S-1 is
selected. This is where the out let streams properties are defined and the results can be accessed. To
define the streams click new under the define tab and select stream 1, overhead, and under category select
Streams. Then, under reference select type; stream-var, stream; overhead, substream; mixed, variable
mole-density. Close out of variable definition back to the define tab and do the same thing for stream 2,
bottoms, but define it as a liquid instead of a vapor. The next step is the vary tab. Under manipulated
variable select block-var for type, block name, the flash tank, for block; pressure for variable. Finally,
under the tabulate tab click the fill variables and that will fill in all the pertinent information.
Now that the block and streams have been defined it is a simple matter to run different isotherms
for a given property method. By going back to the block input the temperature for the isotherm can be
manipulated to run three isotherms under, one at, and two above the critical temperature.
To change property methods going back to the properties tab this can be selected via the drop
down bar. If any modifications to the property method is needed, such as in COSMO SAC, the modify
property models can be selected and then an EOS modification can be made. Run all 3 isotherms per
property method and export the data to excel. In excel tables and graphs may be made to help identify
trends and accuracy of predicted systems.
Plotting T-x-y and P-x-y in Aspen is fairly straightforward if not time consuming. There is no
need to set up a block the property analysis tool is not based on any process conditions. By selecting the
data browser the properties and components input boxes are brought up. In the properties input there is a
drop down that will allow you to choose what property method to use. In the components box two
different components may be entered. After all inputs are filled out by selecting tools, analysis, properties,
binary the correct window to produce P-x-y and T-x-y information is brought up. Here a constant
pressure may be entered for T-x-y information and temperature may be entered for P-x-y. By accessing
the NIST thermo data engine the experimental data to compare calculations to can be accessed.
After all data was collected a comparison between the experimental values and calculated values
for T-x-y and P-x-y was performed. By entering the data into excel and then graphing a comparison
between the calculated data and experimental data is easy to asses. As for P-v diagrams all other property
models were compared back to SRK. 1
isotherm below, at and above the critical
SRK Isotherms of Glyoxal

with L-V equilibrium dome
point was compared.

70
Pressure-Volume Isotherms
For the data analysis of isotherms
across a pressure volume graph the
SRK EOS was chosen to be
Preassure (Bar)
Comparison Analysis
60
T=425K
50
T=450K
40
T=475K
30
T=539t
20
Crit T
Dome
10
0
0.5
1.5
2.5
Volume(M^3/Kmol)
Fig 1. SRK isotherms of glyoxal
compared against. By observing the isothem at critical temperature (in blue) the carcteristic dome can
be visualized. Also if more isotherms were to be layed on top of this graph it would clearly mark the area
around the vapor-liquid equilibrium dome. These together show that SRK is accuret and a good point of
comparison to the other models. When anylizing other property methods the COSMO and PengRobinson come very close to the accurecy of SRK. Apon closer inspection of the critical point and
Dome
sourounding points the
SRK VS Ideal Gas
Peng-Robonson is a better
70
match then the COSMO.
glyoxal and that pengRobonson was designed
Preassure (Bar)
Considering the nature of
60
T=475K SRK
50
T=539 SRK
40
Crit T SRK
30
T=475 IG
20
T=539 IG
with
10
Crit T IG
0
imporoving accuercy near
Voume(M^3/Kmol)
the critical point as well as

Fig. 2 SRK vs Ideal gas
EoS For P-V diagram
is good predictor of non-polar molacules its stregths are well suited for glyoxal. The worst predictor of
glyoxals liquid-vapor equillibrium dome is the ideal gas equation of state. This is to be expected as
glyoxal dose not satisfy the requirements of an ideal gas. The intermolecular interactions of glyoxal have
a strong influence on its behavior in the vapor phase. As can be seen in fig. 2 there is a shift in the liquid
vapor equilibrium dome bounders on the vapor side. On the liquid side of the dome there is not much of
a deviation from the SRK model.
On the vapor side there is a shift to the right meaning that the ideal gas EoS is predicting a larger
volume then the gas actually is taking up. The limitations of the ideal gas EoS cannot account for the
intermolecular attraction that is present in glyoxal. At the critical temperature these short comings are
easily seen. The gap between the vapor and liquid sides of the dome are extremely far apart. This implies
that there is a range of volumes at a single pressure that are vapor only. As we know that this can only
happen in the two phase area of the P-v diagram it is a good indicator of the deficiencies in the predictive
model.
T-x-y and P-x-y Graph Analyses

Benzene Toluene
The first binary mixture that will be analyzed is benzene and toluene. After carefully considering the
comparisons of the property models against the experimental data the ideal gas EoS and NTLR are the
most accurate. Even though the mixture of benzene and toluene do have some interactions they are
weak enough that the mixture can be successfully predicted by the ideal gas EoS. This is significant as
using the most simplistic approach is
preferable. The reason that the mixture
T-x-y Data Vs Ideal & NRTL

Benzene Toluene
has ideal gas properties is due to the

390
both components boiling points and the

low pressure of the isobaric system of 1
bar. The same holds true for the P-x-y
data even though the temperature is
Temperature (K)
relatively high temperature in relation to
VLE-028 L
380
VLE-028 V
370
IDEAL L
360
IDEAL V
350
NRTL L
0
0.2
0.4
0.6
0.8
Mole Fraction Benzene
brought down significantly but also the
Fig. 3 T-x-y experimental data

compared to Ideal gas EoS and NRTL
pressure is dropped to .25 bar. The NRTL Excess Gibbs energy approach is also an accurate due also to
the ideal gas nature of the mixture. Some of the principle assumptions for NRTL is that the local
concentration around component a is not influenced the local concentration around component b. Even
though this may be a flawed concept in an ideal case it is accurate.
Methanol Benzene
NRTL V
The mixture of methanol and benzene produce a more complicated fraction percent to
temperature/pressure relationship as an azeotrope is introduced. Because of the azeotrope this shows the
short comings in standard equations of state. None of the equations of state that were looked at came
close to being able to
P-x-y Data Vs Wilson

Methanol Benzene
predict the T-x-y or P-x-y

model for this mixture. The
0.7
strengths of activity
show in this case. The

Wilson model and NRTL
were very close in
Pressure (Bar)
coefficient models really
0.6
0.5
0.4
VLE-105 L
0.3
VLE-105 V
0.2
WILISON L
0.1
WILISON V
0
0
predicting the nature of the
0.2
0.4
0.6
0.8
methanol and benzene

Fig. 4 P-x-Y of experimental data and
the Wilson method
mixture. In this case Wilson was slightly better. The success of this model has to do with the fact that the
formation of an azeotrope is better described in thermo-dynamical terms of activity coefficients then just
pressure, temperature and volume. This is due to the fact that an azeotrope, by definition, happens when
both components in a mixture display the same physical parameters.
Due to this equations of state rely
on independent values for physical conditions and are not powerful enough. NRTL is based off of the
Wilson model and, as stated above, some of the incorrect assumptions for the NRTL cause a slight
deviation form experimental data leaving the Wilson method more accurate.
Acetone Water
T-x-y Data Vs NRTL

Acetone Water
Acetone and
water create another
with an azeotrope
being formed close
to the mole fraction
of 1. Just as before
380
Temperature (K)
complicated system
390
370
360
VLE-110 L
350
VLE-110 V
340
NTLR L
330
NTLR V
320
0
0.2
0.4
0.6
0.8
equations of state
Fig. 5 T-x-y of experimental data and

NRTL
fail to be able to model this system and activity coefficient models improve on the equation of state.
Again, as before with the methanol and benzene, NRTL and Wilson are very similar and accurate but this
time there is not enough of a significant difference between the two to state one is better than the other.
Conclusion
In conclusion the application of using equations of state and Excess Gibbs Energy models
demonstrates the strengths of each approach. When trying to predict how a system will behave it is
important to take into account the properties of the components in the system as well as any possible
anomalies that may occur such as azeotropes. After careful consideration the correct method to predict
the system parameters may be chosen and applied.
Appendixes
Grace Carrier and Joe Machado
12/7/2012 13:27
Computational Program - Glyoxal
(
(
)
)(
))
Tc
496.7 K
Pc
6278867 N/m2
w
0.436264
*data gathered using Diadem Professional, DIPPR
database
Isotherm one
a=
b=
T=
A: Visual basic coding

Copy of code
N.B.-for the Pxy and Txy diagrams, only one mixture is represented since the other two mixtures are
identical programs with different cell outputs in order to go on the sheet where it belongs.
Sub Pv()
'Grace Carrier and Joe Machado
'7 December 2012
'Program to output PV dome and ten isotherms
' Dim variables as needed

Dim Intgl As Double
Dim delta As Single
Dim T(10)
Dim alpha(10)
Dim limit As Variant
Dim Psat(10)
Dim vl(10)
Dim vh(10)
Dim isotherm(10, 100)
Dim v(10, 100)
'Input varaibles on Spreadsheet

Application.Goto Sheets("Sheet1").Range("B7")
Tc = ActiveCell.Value 'K
ActiveCell.Offset(1, 0).Select
Pc = ActiveCell.Value 'MPa
omega = ActiveCell.Value 'dimensionless
'freezing point
Tf = ActiveCell.Value 'K
R = 0.000008314 'J/mol K
A = 0.42748 * R ^ 2 * Tc ^ 2 / Pc
B = 0.08664 * R * Tc / Pc
'Set tolerance and max number of equations

es = 0.000000000000001
imax = 1000
'Find temperatures for the isotherms based off of freezing point and critical point
'Alpha as well since it is temperature dependant
For i = 0 To 9
T(i) = Tf + (Tc - Tf) / 7 * (i + 1)
alpha(i) = (1 + (0.48508 + 1.55171 * omega - 0.15613 * omega ^ 2) * (1 - (T(i) / Tc) ^ 0.5)) ^ 2

Next
Application.Goto Sheets("Sheet2").Range("A1")
For i = 0 To 5
Intgl = 0
Psatg = 0
'set limits for the equation using min and max by finding critical points of the first derivative, see
MINMAX funtion
Limits = MINMAX(R, T(i), A, B, alpha(i))
If Limits(0) < 0 Then
Limits(0) = 0
End If
ea = 1
iter = 0
While ea > es And iter <= imax
Psatg = (Limits(1) + Limits(0)) / 2

'Finding roots of SRK using SRKROOT Functions
Roots = SRKROOT(R, T(i), A, B, alpha(i), Psatg)
'bubble sorting the roots

beta = 0
While (beta < 1)
beta = 1
For j = 1 To 2
If (Roots(j) < Roots(j - 1)) Then
dumnum = Roots(j)
Roots(j) = Roots(j - 1)
Roots(j - 1) = dumnum
beta = 0
End If
Next
Wend
'integral calculation in order to find psat

Intgl = SRKINT(Roots(0), Roots(2), R, T(i), A, B, alpha(i), Psatg)
iter = iter + 1
If Intgl <> 0 Then

ea = Abs(Intgl)
End If
If Intgl < 0 Then

Limits(1) = Psatg
ElseIf Intgl > 0 Then
Limits(0) = Psatg
Else
ea = 0
End If
Wend
Psat(i) = Psatg
vl(i) = Roots(0)
vh(i) = Roots(2)
Next
Application.Goto Sheets("Sheet2").Range("H1")
'Isotherms below the critical point

For i = 0 To 5
ActiveCell.Value = Psat(i)
ActiveCell.Value = vl(i)
ActiveCell.Value = vh(i)
ActiveCell.Offset(-2, 1).Select
Next
'critical point isotherm

Psat(6) = Pc
Roots = SRKROOT(R, T(6), A, B, alpha(6), Pc)
For i = 0 To 1
If IsNumeric(Roots(i)) = False Then
Roots(i) = 0
End If
Next
beta = 0
While (beta < 1)
beta = 1
For j = 1 To 1
dumnum = Roots(j)
beta = 0
End If
Next
Wend
vl(6) = Roots(1)
vh(6) = Roots(1)
Application.Goto Sheets("Sheet2").Range("N1")
ActiveCell.Value = Psat(6)
ActiveCell.Value = vl(6)
Application.ScreenUpdating = True
For i = 0 To 9
vcalc = B + 0.000001
If vcalc < vl(i) Or vcalc > vh(i) Then
isotherm(i, 0) = SRK(vcalc, R, T(i), B, A, alpha(i))
ElseIf vcalc >= vl(i) And vcalc <= vh(i) Then

isotherm(i, 0) = Psat(i)
End If
v(i, 0) = vcalc
Next
'Corrects so that in the dome, the isotherm stays at the same temp
i=0
For i = 0 To 9
For j = 1 To 100
vcalc = B * ((B + (1.1 * (vh(0) - vl(0))) / B) ^ 0.01) ^ (j)
If vcalc < vl(i) Or vcalc > vh(i) Then

isotherm(i, j) = SRK(vcalc, R, T(i), B, A, alpha(i))
ElseIf vcalc >= vl(i) And vcalc <= vh(i) Then

isotherm(i, j) = Psat(i)
End If
v(i, j) = vcalc
Next
Next
'Shows isotherm temp

For i = 0 To 9
ActiveCell.Value = T(i)
Next
'Outputs volumes
Application.Goto Sheets("Sheet3").Range("A3")
For j = 0 To 100
ActiveCell.Value = v(0, j)
Next
'Outputs Pressures
For i = 0 To 9
For j = 0 To 100
ActiveCell.Value = isotherm(i, j)
Next
Next
Application.ScreenUpdating = True
End Sub
Function MINMAX(R, T, A, B, alpha)
'Dim arrays
Dim VLH(2)
Dim mv(10000) As Variant
Dim FirstDerivative(10000) As Variant
For i = 0 To 10000
v = B + 0.000001 * (i + 1)
'SRK first derivative
FirstDerivative(i) = -(R * T / (B - v) ^ 2) + (A * alpha * (B + 2 * v)) / (v ^ 2 * (B + v) ^ 2)
mv(i) = v
Next
inc = 0
test = 0
If FirstDerivative(0) < 0 Then

While test <= 0
inc = inc + 1
test = FirstDerivative(inc)
vmin = mv(inc)
Wend
test = 0
While test >= 0
inc = inc + 1
vmax = mv(inc)
Wend
ElseIf FirstDerivative(0) > 0 Then
While test >= 0

inc = inc + 1
vmax = mv(inc)
Wend
test = 0
While test <= 0
inc = inc + 1
vmin = mv(inc)
Wend
End If
Plow = R * T / (vmin - B) - (A * alpha / (vmin * (vmin + B)))
Phigh = R * T / (vmax - B) - (A * alpha / (vmax * (vmax + B)))
VLH(0) = Plow
VLH(1) = Phigh
MINMAX = VLH
End Function
Function QBRT(x As Double) As Double
' Signed cube root function. Used by Qubic procedure.
QBRT = Abs(x) ^ (1 / 3) * Sgn(x)
End Function
Function SRKROOT(Gas, T, av, bv, alpha, Psat)
' Q U B I C - Solves a cubic equation of the form:

' y^3 + Py^2 + Qy + R = 0 for real roots.
' Input P,Q,R Coefficients of polynomial.
' Output ROOT 3-vector containing only real roots.NROOTS The number of roots found. The real roots
' found will be in the first elements of ROOT.
' Closed form employing trigonometric and Cardano's method
' Note: To translate and equation of the form:
' O'y^3 + P'y^2 + Q'y + R' = 0 into the form above,

' divide through by O', i.e. P = P'/O', Q = Q'/O', R=R'/O'
'Define coefficients
P = Gas * T / -Psat 'v^2
Q = (bv ^ 2 * Psat + bv * Gas * T - av * alpha) / -Psat 'v
R = (av * alpha * bv) / -Psat 'c
'Dim variables as neccesary

Dim Z(3) As Double
Dim p2 As Double
Dim RMS As Double
Dim A As Double
Dim B As Double
Dim nRoots As Integer
Dim DISCR As Double
Dim t1 As Double
Dim t2 As Double
Dim RATIO As Double
Dim SUM As Double
Dim DIF As Double
Dim AD3 As Double
Dim E0 As Double
Dim CPhi As Double
Dim PhiD3 As Double
Dim PD3 As Double
Const DEG120 = 2.09439510239319

Const Tolerance = 0.00001
Const Tol2 = 1E-20
' Translate into the form Z^3 + aZ + b = 0
p2 = P ^ 2
A = Q - p2 / 3
B = P * (2 * p2 - 9 * Q) / 27 + R
RMS = Sqr(A ^ 2 + B ^ 2)
If RMS < Tol2 Then
'Three equal roots
nRoots = 3
ReDim Root(0 To nRoots)
For i = 1 To 3
Root(i) = -P / 3
Next i
Exit Function
End If
DISCR = (A / 3) ^ 3 + (B / 2) ^ 2
If DISCR > 0 Then
t1 = -B / 2
t2 = Sqr(DISCR)
If t1 = 0 Then
RATIO = 1
Else
RATIO = t2 / t1
End If
If Abs(RATIO) < Tolerance Then

'Three real roots, two (2 and 3) equal.
nRoots = 3
Z(1) = 2 * QBRT(t1)
Z(2) = QBRT(-t1)
Z(3) = Z(2)
Else
'One real root, two complex. Solve using Cardan formula.
nRoots = 1
SUM = t1 + t2
DIF = t1 - t2
Z(1) = QBRT(SUM) + QBRT(DIF)
End If
Else
'Three real unequal roots. Solve using trigonometric method.

nRoots = 3
AD3 = A / 3#
E0 = 2# * Sqr(-AD3)
CPhi = -B / (2# * Sqr(-AD3 ^ 3))
PhiD3 = Application.WorksheetFunction.Acos(CPhi) / 3#
Z(1) = E0 * Cos(PhiD3)
Z(2) = E0 * Cos(PhiD3 + DEG120)
Z(3) = E0 * Cos(PhiD3 - DEG120)
End If
'Now translate back to roots of original equation

PD3 = P / 3

Application.Goto Worksheets("Sheet2").Range("F2")
For i = 0 To nRoots - 1
Root(i) = Z(i) - PD3
Next i
SRKROOT = Root
End Function
Function SRKINT(v1, v3, R, T, A, B, alpha, Psat)
'Takes the integral of SRK and finds psat inorder to find where the integral is equal to zero
SRKINT = -Psat * (v3 - v1) - (A * alpha * Application.WorksheetFunction.Ln(v3 / v1)) / B + R * T *

Application.WorksheetFunction.Ln((v3 - B) / (v1 - B)) + (A * alpha *
Application.WorksheetFunction.Ln((v3 + B) / (v1 + B))) / B
End Function
Function SRK(v, R, T, B, A, alpha)
SRK = R * T / (v - B) - (A * alpha) / (v * (v + B))
End Function
Sub Pxy_AW()
'7 December 2012
'Will output Pxy diagrams
'Input data
Dim integral, T, alpha(3), Psat(3), A(3), B(3), w(3), Tc(3), Pc(3), infdilgamma(3), P(11), y1(11), y2(11),
AntoineA(3), AntoineB(3), AntoineC(3), Pnew(11), Pold(11) As Double
Dim delta, AVL, BVL As Single
Dim Limits As Variant
Application.Goto Sheets("sheet6").Range("b8")
T = ActiveCell.Value
R = 0.000008314 'J/molK
For i = 1 To 2
Tc(i) = ActiveCell.Value
Pc(i) = ActiveCell.Value
infdilgamma(i) = ActiveCell.Value
AntoineA(i) = ActiveCell.Value
AntoineB(i) = ActiveCell.Value
AntoineC(i) = ActiveCell.Value
w(i) = ActiveCell.Value
A(i) = 0.42748 * R ^ 2 * Tc(i) ^ 2 / Pc(i)

B(i) = 0.08664 * R * Tc(i) / Pc(i)
alpha(i) = (1 + (0.48508 + 1.55171 * w(i) - 0.15613 * w(i) ^ 2) * (1 - (T / Tc(i)) ^ 0.5)) ^ 2
Next
AVL = R * 350 * Application.WorksheetFunction.Ln(infdilgamma(1))

BVL = R * 350 * Application.WorksheetFunction.Ln(infdilgamma(2))
'Set tolerance and max number of equations

esmall = 0.000000000000001
imax = 1000
integral = 0
Psatguess = 0
For i = 1 To 2
Limits = MINMAX(R, T, A(i), B(i), alpha(i))
If Limits(0) < 0 Then
Limits(0) = 0
End If
ea = 1
iter = 0
While ea > es And iter <= imax
Psatguess = (Limits(1) + Limits(0)) / 2

'Finding roots of SRK using SRKROOT Functions
Roots = SRKROOT(R, T, A(i), B(i), alpha(i), Psatguess)
'bubble sorting the roots

beta = 0
While (beta < 1)
beta = 1
For j = 1 To 2
dumnum = Roots(j)
beta = 0
End If
Next
Wend
'integral calculation in order to find psat

integral = SRKINT(Roots(0), Roots(2), R, T, A(i), B(i), alpha(i), Psatguess)
iter = iter + 1
If integral <> 0 Then

ea = Abs(integral)
End If
If integral < 0 Then

Limits(1) = Psatguess
ElseIf integral > 0 Then
Limits(0) = Psatguess
Else
ea = 0
End If
Wend
Psat(i) = Psatguess
Next
For i = 0 To 10
x1 = i * 0.1
x2 = 1 - x1
ActiveCell.Value = x1
gamma1 = R * T * Exp(AVL * (BVL * x2 / (AVL * x1 + BVL * x2)) ^ 2)

gamma2 = R * T * Exp(BVL * (AVL * x1 / (AVL * x1 + BVL * x2)) ^ 2)
P(i) = x1 * gamma1 * Psat(1) + x2 * gamma2 * Psat(2)

ActiveCell.Value = P(i)
Pnew(i) = P(i)
dP = 1
While dP > esmall And iter <= imax
Pold(i) = Pnew(i)
iter = iter + 1
y1(i) = (x1 + gamma1 + Psat(1)) / (x1 * gamma1 * Psat(1) + x2 * gamma2 * Psat(2))
y2(i) = (x2 + gamma2 + Psat(2)) / (x1 * gamma1 * Psat(1) + x2 * gamma2 * Psat(2))
Pnew(i) = x1 * gamma1 * Psat(1) + x2 * gamma2 * Psat(2)

dP = Abs(Pold(i) - Pnew(i))
Wend
y1(i) = y1
y2(1) = y2
P(i) = Pnew(i)
Next
Application.Goto Sheets("sheet6").Range("b16")
For i = 0 To 10
P(i) = ActiveCell.Value
Next
For i = 0 To 10
y1guess = i * 0.1
y2guess = 1 - y1guess
ActiveCell.Value = y1guess
gamma1 = 1
gamma2 = 1
P(i) = 1 / ((y1guess / (gamma1 * Psat(1))) + (y2guess / (gamma2 * Psat(2))))
x1guess = y1guess * P(i) / (gamma1 * Psat(1))

gamma1 = R * T * Exp(AVL * (BVL * x2guess / (AVL * x1guess + BVL * x2guess)) ^ 2)

gamma2 = R * T * Exp(BVL * (AVL * x1guess / (AVL * x1guess + BVL * x2guess)) ^ 2)
Pnew(i) = P(i)
newgamma1 = gamma1
newgamma2 = gamma2
dP = 1
dgamma = 1
newiter = 1
While dP > esmall And newiter <= imax
Pold(i) = Pnew(i)
newiter = newiter + 1
Iteration = 0
dgamma1 = 1
dgamma2 = 1
While dgamma1 > esmall And dgamma2 > esmall And Iteration <= imax
oldgamma1 = newgamma1
oldgamma2 = newgamma2
Iteration = Iteration + 1

x1guess = x1guess / (x1guess + x2guess)

x2guess = x2guess / (x2guess + x1guess)
gamma1 = R * T * Exp(AVL * (BVL * x2guess / (AVL * x1guess + BVL * x2guess)) ^ 2)

gamma2 = R * T * Exp(BVL * (AVL * x1guess / (AVL * x1guess + BVL * x2guess)) ^ 2)
newgamma1 = gamma1
newgamma2 = gamma2
dgamma1 = Abs(newgamma1 - oldgamma1)

dgamma2 = Abs(newgamma2 - oldgamma2)
Wend
Pnew(i) = P(i)
dP = Abs(Pold(i) - Pnew(i))
Wend
P(i) = Pnew(i)
Next
For i = 0 To 10
ActiveCell.Value = P(i)
Next
End Sub
Function MINMAX(R, T, A, B, alpha)
'Dim arrays
Dim VLH(2)
Dim mv(10000) As Variant
Dim FirstDerivative(10000) As Variant
For i = 0 To 10000
v = B + 0.000001 * (i + 1)
'SRK first derivative
FirstDerivative(i) = -(R * T / (B - v) ^ 2) + (A * alpha * (B + 2 * v)) / (v ^ 2 * (B + v) ^ 2)
mv(i) = v
Next
inc = 0
test = 0
If FirstDerivative(0) < 0 Then

While test <= 0
inc = inc + 1
vmin = mv(inc)
Wend
test = 0
While test >= 0
inc = inc + 1
vmax = mv(inc)
Wend
ElseIf FirstDerivative(0) > 0 Then
While test >= 0

inc = inc + 1
vmax = mv(inc)
Wend
test = 0
While test <= 0
inc = inc + 1
vmin = mv(inc)
Wend
End If
Plow = R * T / (vmin - B) - (A * alpha / (vmin * (vmin + B)))
Phigh = R * T / (vmax - B) - (A * alpha / (vmax * (vmax + B)))
VLH(0) = Plow
VLH(1) = Phigh
MINMAX = VLH
End Function
Function QBRT(x As Double) As Double
' Signed cube root function. Used by Qubic procedure.
QBRT = Abs(x) ^ (1 / 3) * Sgn(x)
End Function
Function SRKROOT(Gas, T, av, bv, alpha, Psat)
' Q U B I C - Solves a cubic equation of the form:

' y^3 + Py^2 + Qy + R = 0 for real roots.
' Input P,Q,R Coefficients of polynomial.
' Output ROOT 3-vector containing only real roots.NROOTS The number of roots found. The real roots
' found will be in the first elements of ROOT.
' Closed form employing trigonometric and Cardan
' Note: To translate and equation of the form:

' O'y^3 + P'y^2 + Q'y + R' = 0 into the form above,
' divide through by O', i.e. P = P'/O', Q = Q'/O', R=R'/O'
'Define coefficients
P = Gas * T / -Psat 'v^2
Q = (bv ^ 2 * Psat + bv * Gas * T - av * alpha) / -Psat 'v
R = (av * alpha * bv) / -Psat 'c

Dim Z(3) As Double
Dim p2 As Double
Dim RMS As Double
Dim A As Double
Dim B As Double
Dim nRoots As Integer
Dim DISCR As Double
Dim t1 As Double
Dim t2 As Double
Dim RATIO As Double
Dim SUM As Double
Dim DIF As Double
Dim AD3 As Double
Dim E0 As Double
Dim CPhi As Double
Dim PhiD3 As Double
Dim PD3 As Double
Const DEG120 = 2.09439510239319
Const Tolerance = 0.00001

Const Tol2 = 1E-20
' Translate into the form Z^3 + aZ + b = 0
p2 = P ^ 2
A = Q - p2 / 3
B = P * (2 * p2 - 9 * Q) / 27 + R
RMS = Sqr(A ^ 2 + B ^ 2)
If RMS < Tol2 Then
'Three equal roots
nRoots = 3
For i = 1 To 3
Root(i) = -P / 3
Next i
Exit Function
End If
DISCR = (A / 3) ^ 3 + (B / 2) ^ 2
If DISCR > 0 Then
t1 = -B / 2
t2 = Sqr(DISCR)
If t1 = 0 Then
RATIO = 1
Else
RATIO = t2 / t1
End If
If Abs(RATIO) < Tolerance Then

'Three real roots, two (2 and 3) equal.
nRoots = 3
Z(1) = 2 * QBRT(t1)
Z(2) = QBRT(-t1)
Z(3) = Z(2)
Else
'One real root, two complex. Solve using Cardan formula.
nRoots = 1
SUM = t1 + t2
DIF = t1 - t2
Z(1) = QBRT(SUM) + QBRT(DIF)
End If
Else
'Three real unequal roots. Solve using trigonometric method.

nRoots = 3
AD3 = A / 3#
E0 = 2# * Sqr(-AD3)
CPhi = -B / (2# * Sqr(-AD3 ^ 3))

PhiD3 = Application.WorksheetFunction.Acos(CPhi) / 3#
Z(1) = E0 * Cos(PhiD3)
Z(2) = E0 * Cos(PhiD3 + DEG120)
Z(3) = E0 * Cos(PhiD3 - DEG120)
End If
'Now translate back to roots of original equation

PD3 = P / 3

Application.Goto Worksheets("Sheet2").Range("F2")
For i = 0 To nRoots - 1
Root(i) = Z(i) - PD3
Next i
SRKROOT = Root
End Function
Function SRKINT(v1, v3, R, T, A, B, alpha, Psat)
'Takes the integral of SRK and finds psat inorder to find where the integral is equal to zero
SRKINT = -Psat * (v3 - v1) - (A * alpha * Application.WorksheetFunction.Ln(v3 / v1)) / B + R * T *
Application.WorksheetFunction.Ln((v3 - B) / (v1 - B)) + (A * alpha *
Application.WorksheetFunction.Ln((v3 + B) / (v1 + B))) / B
End Function
Function SRK(v, R, T, B, A, alpha)
SRK = R * T / (v - B) - (A * alpha) / (v * (v + B))
End Function
End Function
End Function
End Function
Sub Txy_AW()
'7 December 2012
'This program will output Txy and Pxy for inputed chemicals
Dim Intgl, P, Psat(3), Tsat(3), Tc(3), Pc(3), infdilgamma(3), Temp(11), y1(11), y2(11), AntoineA(2),
AntoineB(2), AntoineC(2), y1guess(11) As Double
Dim delta As Single
Dim limit As Variant
'Input variables on spreadsheet

Application.Goto Sheets("sheet6").Range("c8")
P = ActiveCell.Value
R = 0.000008314 'J/molK
For i = 1 To 2
Tc(i) = ActiveCell.Value
Pc(i) = ActiveCell.Value
infdilgamma(i) = ActiveCell.Value
AntoineA(i) = ActiveCell.Value
AntoineB(i) = ActiveCell.Value
AntoineC(i) = ActiveCell.Value
Next
'calculate a and b for vl
AVL = R * 350 * Application.WorksheetFunction.Ln(infdilgamma(1))

BVL = R * 350 * Application.WorksheetFunction.Ln(infdilgamma(2))
'set tolerance and max iteration
es = 0.0000000001
imax = 1000
'calculate tsat
Tsat(1) = AntoineB(1) / (-Application.WorksheetFunction.Ln(P) + AntoineA(1)) - AntoineC(1)

Tsat(2) = AntoineB(2) / (-Application.WorksheetFunction.Ln(P) + AntoineA(2)) - AntoineC(2)
'calculate guess for x and corresponding temp
For i = 0 To 10
x1guess = 0.1 * i
x2guess = 1 - x1guess
Temp(i) = x1guess * Tsat(1) + x2guess * Tsat(2)

tnew = Temp(i)
dT = 1
iter = 0
'calculate psat, gamma using the guesses
While dT > es And iter <= imax
iter = iter + 1
told = tnew
Psat(1) = Exp(AntoineA(1) - AntoineB(1) / (Temp(i) + AntoineC(1)))
gamma1 = R * Temp(i) * Exp(AVL * (BVL * x2guess / (AVL * x1guess + BVL * x2guess)) ^ 2)
gamma2 = R * Temp(i) * Exp(BVL * (AVL * x1guess / (AVL * x1guess + BVL * x2guess)) ^ 2)
Psat(1) = P * Psat(1) / (x1guess * gamma1 * Psat(1) + x2guess * gamma2 * Psat(2))
Temp(i) = AntoineB(1) / (-Log(Psat(1)) + AntoineA(1)) - AntoineC(1)
tnew = Temp(i)
dT = Abs(tnew - told)
Wend
Temp(i) = tnew
Next
'Output data
Sheets("Sheet6").Range("b11").Select
For i = 0 To 10
ActiveCell.Value = Temp(i)
Next
'guessing x, calculating psat gamme and y for dew temp
For i = 0 To 10
x1guess = 0.1 * i
x2guess = 1 - x1guess
ActiveCell.Value = x1guess

gamma1 = R * Temp(i) * Exp(AVL * (BVL * x2guess / (AVL * x1guess + BVL * x2guess)) ^ 2)

gamma2 = R * Temp(i) * Exp(BVL * (AVL * x1guess / (AVL * x1guess + BVL * x2guess)) ^ 2)
y1guess(i) = (x1guess * gamma1 * Psat(1)) / P

Next
'Output data
For i = 0 To 10
ActiveCell.Value = y1guess(i)
Next
End Sub
B: Aspen Data and Graphs
SRK Isotherms
70
Preassure (Bar)
60
50
T=425K
T=450K
40
T=475K
30
T=539t
20
Crit T
10
0
0.5
1.5
Voume(M^3/Kmol)
2.5
bar
1
1.0135
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
T=425
T=450K
T=475
T=539
T=496.65 (Critical Temp)
KMOL/CUM
KMOL/CUM V Liquid V Vapor VLIQUID VVAPOR V Liquid V Vapor VLIQUID VVAPOR V Liquid V Vapor VLIQUID VVAPOR V Liquid V Vapor VLIQUID VVAPOR V Liquid V Vapor
0.028568387
35.00373
0.026936
37.12473
0.025484
39.24007
0.022404
44.63569
0.02435
41.06813
0.028957797
34.53301
0.027303
36.62634
0.02583
38.714
0.022707
44.03875
0.02468
40.51809
0.057692443
17.33329
0.054301
18.41582
0.051302
19.49242
0.044988
22.22823
0.04897
20.4208
0.087401843
11.44141
0.082113
12.17835
0.077465
12.90911
0.067756
14.75884
0.073867
13.53783
0.117728975
8.494086
0.110391
9.058714
0.103984
9.616861
0.090711
11.02398
0.09905
10.09594
0.148709296
6.724529
0.139156
7.186175
0.130873
7.641021
0.113857
8.782912
0.124526
8.030478
0.180381756
5.543798
0.168431
5.937156
0.158143
6.323372
0.137198
7.28875
0.150303
6.653217
0.212789299
4.699484
0.198239
5.044409
0.185811
5.38182
0.160736
6.221387
0.176391
5.669209
0.245979459
4.06538
0.228608
4.374307
0.213889
4.675317
0.184476
5.420772
0.202799
4.930979
0.280005073
3.571364
0.259564
3.852612
0.242395
4.125502
0.208421
4.797988
0.229537
4.356594
0.31492515
3.175358
0.29114
3.434779
0.271344
3.685358
0.232575
4.299684
0.256614
3.896897
0.350805925
2.850579
0.323367
3.092458
0.300755
3.324964
0.256943
3.891911
0.284042
3.520603
0.387722161
2.579166
0.356284
2.806748
0.330647
3.024374
0.281529
3.552034
0.311832
3.206857
0.425758763
2.348748
0.38993
2.564564
0.36104
2.769776
0.306336
3.264385
0.339995
2.94122
0.465012814
2.150478
0.424349
2.356553
0.391956
2.551306
0.33137
3.017771
0.368544
2.713379
0.505596163
1.977863
0.459589
2.175857
0.423419
2.361727
0.356635
2.803984
0.397493
2.51577
0.547638767
1.826021
0.495705
2.01733
0.455454
2.195614
0.382136
2.616869
0.426854
2.342719
0.591293073
1.691209
0.532756
1.877033
0.488087
2.048815
0.407877
2.451718
0.456644
2.18989
13.5618
0.073737
0.570809
1.7519
0.521349
1.9181
0.433864
2.304869
0.486877
2.053907
13.5772
0.073653
0.60994
1.639507
0.555271
1.800921
0.460102
2.173432
0.51757
1.932105
13.59249
0.07357
0.650233
1.537911
0.589888
1.695236
0.486595
2.055095
0.548741
1.822354
13.60769
0.073488
0.691785
1.445536
0.625238
1.599392
0.513351
1.947986
0.580408
1.722927
13.6228
0.073406
0.734707
1.361087
0.66136
1.512036
0.540373
1.850572
0.61259
1.632412
13.63781
0.073326
0.779126
1.283489
0.698301
1.432048
0.567669
1.761589
0.64531
1.549643
13.65273
0.073245
0.825192
1.21184
0.736109
1.358495
0.595244
1.679982
0.67859
1.473645
13.66755
0.073166
0.873078
1.145374
0.774839
1.290591
0.623105
1.604866
0.712453
1.403602
13.68229
0.073087
0.922991
1.083434
0.81455
1.227671
0.651258
1.535491
0.746925
1.338822
13.69694
0.073009
0.975183
1.025448
0.855311
1.169166
0.679709
1.471218
0.782035
1.278715
13.7115
0.072932
1.029957
0.970914
0.897194
1.114586
0.708466
1.411501
0.817812
1.222775
13.72597
0.072855
11.7172
0.085345
0.940284
1.063508
0.737535
1.355867
0.854287
1.170566
13.74036
0.072778
11.74385
0.085151
0.984676
1.015563
0.766925
1.303908
0.891497
1.121709
13.75466
0.072703
11.77016
0.084961
1.030475
0.970426
0.796643
1.255267
0.929477
1.075874
13.76888
0.072628
11.79614
0.084774
1.077805
0.927812
0.826696
1.209634
0.968269
1.032771
13.78302
0.072553
11.8218
0.08459
1.126805
0.887465
0.857094
1.166733
1.007917
0.992145
13.79708
0.072479
11.84715
0.084408
1.17764
0.849156
0.887844
1.126324
1.048469
0.953772
13.81106
0.072406
11.87221
0.08423
1.230498
0.812679
0.918955
1.088192
1.089977
0.917451
13.82496
0.072333
11.89698
0.084055
1.285607
0.777843
0.950437
1.052148
1.1325
0.883002
13.83879
0.072261
11.92146
0.083882
1.343236
0.744471
0.982298
1.018021
1.1761
0.850268
13.85253
0.072189
11.94568
0.083712
1.403713
0.712397
1.01455
0.985659
1.220849
0.819102
13.86621
0.072118
11.96962
0.083545
1.46744
0.681459
1.047201
0.954927
1.266824
0.789376
13.8798
0.072047
11.99331
0.08338
1.534926
0.651497
1.080263
0.925701
1.314112
0.76097
12.01674
0.083217
1.606823
0.622346
1.113746
0.897871
1.362809
0.733779
12.03993
0.083057
1.683991
0.593827
1.147662
0.871337
1.413025
0.707702
12.06287
0.082899
1.767609
0.565736
1.182022
0.846008
1.464882
0.682649
12.08559
0.082743
1.859365
0.537818
1.216839
0.821801
1.518522
0.658535
12.10807
0.08259
9.365394
0.106776
1.252126
0.798642
1.574104
0.635282
12.13034
0.082438
9.429004
0.106056
1.287896
0.77646
1.631813
0.612815
12.15238
0.082288
9.490025
0.105374
1.324162
0.755195
1.691864
0.591064
12.17421
0.082141
9.548713
0.104726
1.360938
0.734787
1.754508
0.56996
12.19584
0.081995
9.605284
0.104109
1.39824
0.715185
1.820045
0.549437
12.21726
0.081851
9.659925
0.10352
1.436083
0.696338
1.888831
0.529428
12.23849
0.081709
9.712796
0.102957
1.474483
0.678204
1.961301
0.509866
12.25952
0.081569
9.764036
0.102417
1.513456
0.660739
2.037991
0.490679
12.28036
0.081431
9.813769
0.101898
1.553019
0.643907
2.119574
0.471793
12.30102
0.081294
9.862102
0.101398
1.593191
0.627671
2.206912
0.453122
12.32149
0.081159
9.909132
0.100917
1.633989
0.611999
2.301145
0.434566
12.34179
0.081026
9.954945
0.100453
1.675434
0.59686
2.403819
0.416005
12.36191
0.080894
9.999616
0.100004
1.717544
0.582227
2.517131
0.397278
12.38187
0.080763
10.04322
0.09957
1.760341
0.568072
2.644365
0.378163
12.40165
0.080634
10.08581
0.099149
1.803846
0.554371
2.790819
0.358318
12.42127
0.080507
10.12745
0.098742
1.848081
0.541102
2.966026
0.337151
12.44074
0.080381
10.16818
0.098346
1.893068
0.528243
3.190559
0.313425
12.46004
0.080257
10.20807
0.097962
1.938831
0.515775
3.529298
0.283342
12.47919
0.080133
10.24715
0.097588
1.985395
0.503678 5.825726
0.171652
12.49819
0.080012
10.28545
0.097225
2.032784
0.491936 6.416593
0.155846
12.51704
0.079891
10.32303
0.096871
2.081024
0.480533 6.728951
0.148612
12.53575
0.079772
10.3599
0.096526
2.13014
0.469453 6.958721
0.143705
12.55431
0.079654
10.39611
0.09619
2.18016
0.458682 7.145382
0.139951
12.57273
0.079537
10.43169
0.095862
2.23111
0.448207 7.304804
0.136896
12.59102
0.079422
10.46665
0.095542
2.283018
0.438017 7.445166
0.134315
12.60916
0.079307
10.50102
0.095229
2.33591
0.428099 7.571305
0.132078
COSMO Isotherms
70
Preassure (Bar)
60
50
t=425
T=450
40
T=475
30
T=539
20
Crit T
10
0
0.5
1.5
2.5
Voume(M^3/Kmol)
SRK VS COSMO
70
Preassure (Bar)
65
T=475K SRK
60
T=539 SRK
55
Crit T SRK
50
T=475 COSMO
45
T=539 COSMO
Crit T COSMO
40
0
0.5
1.5
Voume(M^3/Kmol)
2.5
BAR
1
1.0135
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
T=425
T=450K
T=475
T=539
KMOL/CUM
0.02859836
34.96704
0.026936
37.12473
0.025496
39.22147
0.022409
44.62578
0.024358
41.05369
0.028988599
34.49632
0.027303
36.62634
0.025843
38.6954
0.022712
44.02884
0.024689
40.50365
0.057816191
17.29619
0.054301
18.41582
0.051351
19.47369
0.045008
22.21824
0.049005
20.40626
0.087689495
11.40387
0.082113
12.17835
0.077578
12.89023
0.067802
14.74878
0.073947
13.52319
0.118257795
8.456102
0.110391
9.058714
0.10419
9.597843
0.090795
11.01383
0.099195
10.0812
0.149564644
6.686072
0.139156
7.186175
0.131202
7.621858
0.11399
8.772689
0.124756
8.015624
0.18165821
5.504843
0.168431
5.937156
0.158628
6.304062
0.137392
7.278447
0.150642
6.638256
0.214591991
4.660006
0.198239
5.044409
0.186485
5.362358
0.161005
6.211002
0.176862
5.65414
0.24842566
4.025349
0.228608
4.374307
0.21479
4.6557
0.184832
5.410305
0.203426
4.915798
0.283226111
3.530748
0.259564
3.852612
0.243562
4.105726
0.20888
4.787438
0.230346
4.341301
0.319068728
3.134121
0.29114
3.434779
0.27282
3.665419
0.233152
4.289051
0.257633
3.881489
0.356038957
2.808681
0.323367
3.092458
0.302585
3.304859
0.257653
3.881192
0.2853
3.505078
0.394234274
2.536563
0.356284
2.806748
0.332879
3.004098
0.282388
3.54123
0.31336
3.191213
0.433766671
2.305387
0.38993
2.564564
0.363726
2.749324
0.307362
3.253494
0.341827
2.925456
0.474765847
2.106301
0.424349
2.356553
0.395152
2.530673
0.33258
3.006792
0.370715
2.697491
0.517383344
1.932803
0.459589
2.175857
0.427185
2.340909
0.358049
2.792916
0.400039
2.499756
0.561798018
1.779999
0.495705
2.01733
0.459854
2.174604
0.383772
2.605711
0.429816
2.326577
15.586
0.06416
0.532756
1.877033
0.493192
2.027608
0.409757
2.440468
0.460063
2.173617
15.586
0.06416
0.570809
1.7519
0.527234
1.89669
0.43601
2.293527
0.490798
2.0375
15.586
0.06416
0.60994
1.639507
0.562018
1.779301
0.462535
2.161996
0.52204
1.915562
15.586
0.06416
0.650233
1.537911
0.597586
1.673399
0.489341
2.043564
0.553811
1.805671
15.586
0.06416
0.691785
1.445536
0.633983
1.57733
0.516433
1.936358
0.586132
1.706102
15.586
0.06416
0.734707
1.361087
0.671258
1.489741
0.543819
1.838847
0.619026
1.615441
15.586
0.06416
0.779126
1.283489
0.709466
1.409511
0.571505
1.749766
0.652519
1.532522
15.586
0.06416
0.825192
1.21184
0.748667
1.335707
0.599499
1.668059
0.686638
1.456371
15.586
0.06416
0.873078
1.145374
0.788929
1.267541
0.627809
1.592841
0.721411
1.386172
15.586
0.06416
0.922991
1.083434
0.830325
1.204348
0.656443
1.523362
0.75687
1.321231
15.586
0.06416
0.975183
1.025448
0.872938
1.145557
0.685408
1.458985
0.793047
1.260959
15.586
0.06416
1.029957
0.970914
0.916861
1.090678
0.714713
1.399162
0.829979
1.20485
15.586
0.06416
11.7172
0.085345
0.9622
1.039285
0.744368
1.343421
0.867704
1.152467
15.586
0.06416
11.74385
0.085151
1.009073
0.991009
0.774382
1.291353
0.906265
1.10343
15.586
0.06416
11.77016
0.084961
1.057617
0.945522
0.804763
1.242601
0.945706
1.057411
15.586
0.06416
11.79614
0.084774
1.107988
0.902537
0.835523
1.196855
0.986079
1.014117
15.586
0.06416
11.8218
0.08459
1.160368
0.861795
0.866671
1.153841
1.027437
0.973296
15.586
0.06416
11.84715
0.084408
1.21497
0.823066
0.898218
1.113316
1.069839
0.93472
15.586
0.06416
11.87221
0.08423
1.272045
0.786136
0.930175
1.075066
1.113352
0.898189
15.586
0.06416
11.89698
0.084055
1.331893
0.750811
0.962555
1.038902
1.158046
0.863524
15.586
0.06416
11.92146
0.083882
1.394877
0.716909
0.995369
1.004653
1.204001
0.830564
15.586
0.06416
11.94568
0.083712
1.461446
0.684254
1.028629
0.972168
1.251306
0.799165
15.586
0.06416
11.96962
0.083545
1.532157
0.652675
1.062349
0.94131
1.300058
0.769196
15.586
0.06416
11.99331
0.08338
1.607726
0.621996
1.096544
0.911957
1.350369
0.740538
15.586
0.06416
12.01674
0.083217
1.689091
0.592035
1.131226
0.883997
1.402361
0.713083
15.586
0.06416
12.03993
0.083057
1.777519
0.562582
1.166411
0.857331
1.456175
0.686731
15.586
0.06416
12.06287
0.082899
1.874798
0.533391
1.202114
0.831868
1.511969
0.661389
15.586
0.06416
12.08559
0.082743
12.18879
0.082043
1.238353
0.807524
1.569927
0.636972
15.586
0.06416
12.10807
0.08259
12.18879
0.082043
1.275143
0.784226
1.630257
0.6134
15.586
0.06416
12.13034
0.082438
12.18879
0.082043
1.312503
0.761903
1.693204
0.590596
15.586
0.06416
12.15238
0.082288
12.18879
0.082043
1.35045
0.740494
1.759051
0.568488
15.586
0.06416
12.17421
0.082141
12.18879
0.082043
1.389005
0.71994
1.828138
0.547005
15.586
0.06416
12.19584
0.081995
12.18879
0.082043
1.428188
0.700188
1.900865
0.526076
15.586
0.06416
12.21726
0.081851
12.18879
0.082043
1.468019
0.68119
1.977721
0.505633
15.586
0.06416
12.23849
0.081709
12.18879
0.082043
1.508521
0.662901
2.059302
0.485601
15.586
0.06416
12.25952
0.081569
12.18879
0.082043
1.549717
0.645279
2.146355
0.465906
15.586
0.06416
12.28036
0.081431
12.18879
0.082043
1.591631
0.628286
2.239825
0.446463
15.586
0.06416
12.30102
0.081294
12.18879
0.082043
1.634288
0.611887
2.340944
0.427178
15.586
0.06416
12.32149
0.081159
12.18879
0.082043
1.677715
0.596049
2.451356
0.407937
15.586
0.06416
12.34179
0.081026
12.18879
0.082043
1.721939
0.580741
2.573337
0.3886
15.586
0.06416
12.36191
0.080894
12.18879
0.082043
1.766989
0.565934
2.710173
0.36898
15.586
0.06416
12.38187
0.080763
12.18879
0.082043
1.812895
0.551604
2.866884
0.348811
15.586
0.06416
12.40165
0.080634
12.18879
0.082043
1.859689
0.537724
3.051776
0.327678
15.586
0.06416
12.42127
0.080507
12.18879
0.082043
1.907404
0.524273
3.280267
0.304853
15.586
0.06416
12.44074
0.080381
12.18879
0.082043
1.956073
0.511228
3.587026
0.278782
15.586
0.06416
12.46004
0.080257
12.18879
0.082043
2.005733
0.498571
4.088452
0.244591
15.586
0.06416
12.47919
0.080133
12.18879
0.082043
2.05642
0.486282 8.956884
0.111646
15.586
0.06416
12.49819
0.080012
12.18879
0.082043
2.108173
0.474344 8.956884
0.111646
15.586
0.06416
12.51704
0.079891
12.18879
0.082043
2.161033
0.462742 8.956884
0.111646
15.586
0.06416
12.53575
0.079772
12.18879
0.082043
2.21504
0.451459 8.956884
0.111646
15.586
0.06416
12.55431
0.079654
12.18879
0.082043
2.270237
0.440483 8.956884
0.111646
15.586
0.06416
12.57273
0.079537
12.18879
0.082043
2.32667
0.429799 8.956884
0.111646
15.586
0.06416
12.59102
0.079422
12.18879
0.082043
2.384382
0.419396 8.956884
0.111646
15.586
0.06416
12.60916
0.079307
12.18879
0.082043
2.443422
0.409262 8.956884
0.111646
Case
BAR
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
1
1.0135
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
T=425
T=450K
T=475
T=539
KMOL/CUM
0.028588752
34.97879
0.026955
37.09952
0.025501
39.21474
0.022416
44.61055
0.024365
41.04279
0.028978722
34.50808
0.027322
36.60113
0.025847
38.68867
0.02272
44.01361
0.024696
40.49275
0.057775388
17.30841
0.054375
18.39066
0.051369
19.46714
0.045039
22.20314
0.04903
20.39552
0.087591959
11.41657
0.082283
12.15324
0.077616
12.88388
0.067871
14.73381
0.074005
13.5126
0.118073454
8.469304
0.110697
9.033652
0.104257
9.591681
0.090917
10.999
0.099297
10.07076
0.149258186
6.6998
0.139642
7.161163
0.131304
7.615893
0.114181
8.757989
0.124916
8.005351
0.181188254
5.519122
0.169142
5.912196
0.158773
6.298296
0.137667
7.263884
0.150872
6.628144
0.213910086
4.674861
0.199223
5.0195
0.186679
5.356797
0.161379
6.196577
0.177173
5.64419
0.247475085
4.040811
0.229914
4.349451
0.215038
4.650347
0.185322
5.39602
0.203831
4.906015
0.281940412
3.546849
0.261246
3.827809
0.243868
4.100585
0.209499
4.773293
0.230857
4.331686
0.317369924
3.150897
0.293253
3.410028
0.273187
3.660496
0.233915
4.275048
0.258262
3.872044
0.353835328
2.826173
0.325971
3.067761
0.303016
3.300158
0.258576
3.867334
0.286057
3.495807
0.391417595
2.554816
0.35944
2.782106
0.333375
2.999623
0.283485
3.527517
0.314256
3.182119
0.430208729
2.324453
0.393705
2.539975
0.364288
2.745082
0.308649
3.239929
0.342872
2.91654
0.470313984
2.126239
0.428813
2.33202
0.395778
2.526668
0.334071
2.993376
0.371919
2.688757
0.511854696
1.953679
0.464818
2.15138
0.427872
2.337147
0.359757
2.77965
0.401412
2.491207
0.554971943
1.801893
0.501779
1.992908
0.460598
2.171092
0.385714
2.592597
0.431366
2.318217
0.599831343
1.667135
0.539762
1.852668
0.493985
2.024352
0.411945
2.427509
0.461798
2.165449
15.586
0.06416
0.578841
1.727591
0.528067
1.893698
0.438457
2.280723
0.492726
2.029527
15.586
0.06416
0.619097
1.615255
0.562879
1.776579
0.465257
2.149351
0.524167
1.907789
15.586
0.06416
0.660626
1.513716
0.59846
1.670956
0.492349
2.031079
0.556142
1.798101
15.586
0.06416
0.703532
1.421399
0.634851
1.575174
0.519741
1.924035
0.588672
1.698739
15.586
0.06416
0.747939
1.337007
0.672097
1.48788
0.547439
1.826687
0.621779
1.608289
15.586
0.06416
0.793987
1.259466
0.710249
1.407956
0.57545
1.737772
0.655486
1.525586
15.586
0.06416
0.841841
1.187873
0.749362
1.334468
0.60378
1.656233
0.689819
1.449655
15.586
0.06416
0.891692
1.121463
0.789496
1.26663
0.632437
1.581185
0.724805
1.379681
15.586
0.06416
0.943772
1.059578
0.830719
1.203777
0.661428
1.51188
0.760473
1.31497
15.586
0.06416
0.998358
1.001645
0.873104
1.145339
0.690762
1.447677
0.796855
1.254934
15.586
0.06416
1.055787
0.94716
0.916735
1.090827
0.720445
1.388031
0.833982
1.199066
15.586
0.06416
14.13123
0.070765
0.961706
1.039819
0.750486
1.33247
0.871893
1.14693
15.586
0.06416
14.13123
0.070765
1.008122
0.991944
0.780894
1.280584
0.910625
1.098147
15.586
0.06416
14.13123
0.070765
1.056102
0.946878
0.811677
1.232018
0.95022
1.052388
15.586
0.06416
14.13123
0.070765
1.105784
0.904336
0.842844
1.186459
0.990725
1.009362
15.586
0.06416
14.13123
0.070765
1.157325
0.864062
0.874405
1.143635
1.032189
0.968815
15.586
0.06416
14.13123
0.070765
1.210907
0.825827
0.90637
1.103303
1.074666
0.930522
15.586
0.06416
14.13123
0.070765
1.266746
0.789424
0.938748
1.065249
1.118215
0.894282
15.586
0.06416
14.13123
0.070765
1.325095
0.754663
0.971549
1.029284
1.162901
0.859918
15.586
0.06416
14.13123
0.070765
1.386258
0.721366
1.004786
0.995237
1.208797
0.827269
15.586
0.06416
14.13123
0.070765
1.450606
0.689367
1.038468
0.962957
1.25598
0.796191
15.586
0.06416
14.13123
0.070765
1.518595
0.658504
1.072607
0.932308
1.304539
0.766555
15.586
0.06416
14.13123
0.070765
1.5908
0.628614
1.107216
0.903166
1.35457
0.738242
15.586
0.06416
14.13123
0.070765
1.667965
0.599533
1.142307
0.875421
1.406184
0.711145
15.586
0.06416
14.13123
0.070765
1.751074
0.571078
1.177892
0.848974
1.459502
0.685165
15.586
0.06416
14.13123
0.070765
1.84148
0.543041
1.213985
0.823733
1.514664
0.660212
15.586
0.06416
14.13123
0.070765
1.941137
0.515162
1.2506
0.799616
1.571828
0.636202
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.287751
0.776548
1.631173
0.613056
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.325453
0.754459
1.692908
0.590699
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.363721
0.733288
1.757275
0.569063
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.402572
0.712976
1.824558
0.548078
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.442022
0.693471
1.895093
0.527679
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.482088
0.674724
1.969282
0.507799
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.522787
0.65669
2.047615
0.488373
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.56414
0.639329
2.130696
0.46933
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.606163
0.622602
2.219284
0.450596
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.648879
0.606473
2.314353
0.432086
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.692306
0.59091
2.417185
0.413704
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.736466
0.575882
2.529527
0.395331
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.781381
0.561362
2.653855
0.37681
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.827074
0.547323
2.793876
0.357926
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.873567
0.533741
2.955568
0.338344
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.920887
0.520593
3.14969
0.317492
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.969056
0.507858
3.399452
0.294165
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.0181
0.495515
3.777969
0.264692
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.068047
0.483548 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.118922
0.471938 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.170752
0.46067 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.223567
0.449728 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.277393
0.439099 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.332259
0.428769 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.388195
0.418726 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
2.445228
0.40896 8.956884
0.111646
BAR
1
1.0135
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
T=425
T=450K
T=475
T=539
KMOL/CUM
0.028299829
35.3359
0.026728
37.41449
0.025321
39.49307
0.020282
49.30398
0.024217
41.29312
0.028681877
34.86522
0.027088
36.91612
0.025663
38.96701
0.020556
48.64724
0.024544
40.74309
0.056599658
17.66795
0.053455
18.70724
0.050642
19.74653
0.040565
24.65199
0.048434
20.64656
0.084899487
11.77863
0.080183
12.47149
0.075963
13.16436
0.060847
16.43466
0.072651
13.76437
0.113199316
8.833976
0.10691
9.353621
0.101284
9.873267
0.081129
12.32599
0.096868
10.32328
0.141499145
7.067181
0.133638
7.482897
0.126604
7.898614
0.101412
9.860795
0.121086
8.258624
0.169798974
5.889317
0.160366
6.235747
0.151925
6.582178
0.121694
8.217329
0.145303
6.882187
0.198098803
5.047986
0.187093
5.344926
0.177246
5.641867
0.141976
7.043425
0.16952
5.899017
0.226398632
4.416988
0.213821
4.676811
0.202567
4.936633
0.162259
6.162997
0.193737
5.16164
0.254698461
3.926211
0.240549
4.157165
0.227888
4.388119
0.182541
5.47822
0.217954
4.588124
0.28299829
3.53359
0.267276
3.741449
0.253209
3.949307
0.202823
4.930398
0.242171
4.129312
0.31129812
3.212355
0.294004
3.401317
0.27853
3.590279
0.223106
4.48218
0.266388
3.75392
0.339597949
2.944659
0.320731
3.117874
0.303851
3.291089
0.243388
4.108665
0.290605
3.441093
0.367897778
2.718146
0.347459
2.878037
0.329172
3.037928
0.26367
3.792614
0.314822
3.176394
0.396197607
2.523993
0.374187
2.672463
0.354493
2.820933
0.283953
3.521713
0.33904
2.949509
0.424497436
2.355727
0.400914
2.494299
0.379813
2.632871
0.304235
3.286932
0.363257
2.752875
0.452797265
2.208494
0.427642
2.338405
0.405134
2.468317
0.324517
3.081499
0.387474
2.58082
15.586
0.06416
0.454369
2.200852
0.430455
2.323122
0.3448
2.900234
0.411691
2.429007
15.586
0.06416
0.481097
2.078582
0.455776
2.194059
0.365082
2.73911
0.435908
2.294062
15.586
0.06416
0.507825
1.969183
0.481097
2.078582
0.385364
2.594946
0.460125
2.173322
15.586
0.06416
0.534552
1.870724
0.506418
1.974653
0.405647
2.465199
0.484342
2.064656
15.586
0.06416
0.56128
1.781642
0.531739
1.880622
0.425929
2.347808
0.508559
1.966339
15.586
0.06416
0.588008
1.700658
0.55706
1.795139
0.446211
2.24109
0.532776
1.87696
15.586
0.06416
0.614735
1.626717
0.582381
1.71709
0.466494
2.143651
0.556994
1.795353
15.586
0.06416
0.641463
1.558937
0.607702
1.645544
0.486776
2.054332
0.581211
1.720547
15.586
0.06416
0.66819
1.496579
0.633022
1.579723
0.507058
1.972159
0.605428
1.651725
15.586
0.06416
0.694918
1.439019
0.658343
1.518964
0.527341
1.896307
0.629645
1.588197
15.586
0.06416
0.721646
1.385722
0.683664
1.462706
0.547623
1.826073
0.653862
1.529375
15.586
0.06416
14.13123
#DIV/0!
0.708985
1.410467
0.567906
1.760856
0.678079
1.474754
15.586
0.06416
14.13123
0.070765
0.734306
1.36183
0.588188
1.700137
0.702296
1.423901
15.586
0.06416
14.13123
0.070765
0.759627
1.316436
0.60847
1.643466
0.726513
1.376437
15.586
0.06416
14.13123
0.070765
0.784948
1.27397
0.628753
1.590451
0.75073
1.332036
15.586
0.06416
14.13123
0.070765
0.810269
1.234158
0.649035
1.540749
0.774947
1.29041
15.586
0.06416
14.13123
0.070765
0.83559
1.19676
0.669317
1.49406
0.799165
1.251307
15.586
0.06416
14.13123
0.070765
0.860911
1.161561
0.6896
1.450117
0.823382
1.214504
15.586
0.06416
14.13123
0.070765
0.886231
1.128373
0.709882
1.408685
0.847599
1.179803
15.586
0.06416
14.13123
0.070765
0.911552
1.09703
0.730164
1.369555
0.871816
1.147031
15.586
0.06416
14.13123
0.070765
0.936873
1.06738
0.750447
1.33254
0.896033
1.11603
15.586
0.06416
14.13123
0.070765
0.962194
1.039291
0.770729
1.297473
0.92025
1.086661
15.586
0.06416
14.13123
0.070765
0.987515
1.012643
0.791011
1.264205
0.944467
1.058798
15.586
0.06416
14.13123
0.070765
1.012836
0.987327
0.811294
1.232599
0.968684
1.032328
15.586
0.06416
14.13123
0.070765
1.038157
0.963246
0.831576
1.202536
0.992901
1.007149
15.586
0.06416
14.13123
0.070765
1.063478
0.940311
0.851858
1.173904
1.017119
0.98317
15.586
0.06416
14.13123
0.070765
1.088799
0.918443
0.872141
1.146604
1.041336
0.960305
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
0.892423
1.120545
1.065553
0.93848
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
0.912705
1.095644
1.08977
0.917625
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
0.932988
1.071826
1.113987
0.897677
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
0.95327
1.049021
1.138204
0.878577
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
0.973552
1.027166
1.162421
0.860273
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
0.993835
1.006204
1.186638
0.842717
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.014117
0.98608
1.210855
0.825862
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.034399
0.966745
1.235073
0.809669
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.054682
0.948153
1.25929
0.794098
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.074964
0.930264
1.283507
0.779115
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.095246
0.913037
1.307724
0.764687
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.115529
0.896436
1.331941
0.750784
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.135811
0.880428
1.356158
0.737377
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.156093
0.864982
1.380375
0.724441
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.176376
0.850069
1.404592
0.71195
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.196658
0.835661
1.428809
0.699883
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.21694
0.821733
1.453027
0.688219
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.237223
0.808262
1.477244
0.676936
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.257505
0.795225
1.501461
0.666018
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.277787
0.782603 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.29807
0.770375 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.318352
0.758523 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.338634
0.74703 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.358917
0.73588 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.379199
0.725058 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.399481
0.71455 8.956884
0.111646
15.586
0.06416
14.13123
0.070765
12.18879
0.082043
1.419764
0.704343 8.956884
0.111646
Temperature (K)
T-x-y Experimental Data

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
0.2
0.4
0.6
0.8
P-x-y Experimental Data

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
0.05
0
0
0.2
0.4
0.6
0.8
1.2
L Mole Frac Temp

V molfrac
0
383.76
0
0.05
381.51 0.10838
0.1
379.37
0.2057
0.2
375.39
0.3723
0.3
371.76 0.50844
0.4
368.45 0.62061
0.5
365.4 0.71374
0.6
362.59
0.7916
0.7
359.99
0.8571
0.8
357.58 0.91254
0.9
355.34
0.9597
0.95
354.27 0.98063
1
353.25
1
0
383.76
0
1
353.25
1
L mole Frac V Mole Frac

0
0
0.0401
0.1128
0.0992
0.2514
0.2484
0.502
0.3094
0.5839
0.3315
0.6012
0.3854
0.6599
0.4673
0.7273
0.5398
0.7801
0.6209
0.8312
0.7068
0.8797
0.7899
0.9181
0.8616
0.949
0.9352
0.9773
1
1
0.1853
0.411
0.7033
0.8783
Pressure (Bar)
7872
0.07872
8538
0.08538
9517
0.09517
11973
0.11973
13085
0.13085
13347
0.13347
14306
0.14306
15608
0.15608
16783
0.16783
18119
0.18119
19620
0.1962
20890
0.2089
22080
0.2208
23277
0.23277
24389
0.24389
10919
0.10919
19504
0.19504
Temperature (K)
T-x-y Data Vs SRK

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
L SRK
V SRK
0
0.2
0.4
0.6
0.8
P-x-y Data Vs SRK

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
V SRK
0.05
L SRK
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
K
384.1176
382.5389
381.0392
379.616
378.2642
376.9795
375.7574
374.594
373.4855
372.4284
371.4194
370.4555
369.5337
368.6515
367.8063
366.9959
366.218
365.4706
364.7518
364.0597
363.3928
362.7495
362.1281
361.5275
360.9462
360.383
359.8367
359.3062
358.7906
358.2887
357.7998
357.3228
356.857
356.4016
355.9559
355.5192
355.0908
354.6701
354.2565
353.8497
353.4462
VAPOR LIQUID
MOLEFRACMOLEFRAC
C6H6
C6H6
0
0.066752
0.127833
0.183872
0.235412
0.282933
0.326859
0.367562
0.405373
0.440582
0.473449
0.504204
0.533052
0.560176
0.58574
0.609891
0.63276
0.654468
0.675121
0.694819
0.713649
0.731694
0.749027
0.765717
0.781828
0.797417
0.81254
0.827247
0.841586
0.855604
0.869342
0.882842
0.896145
0.909288
0.922311
0.935249
0.948141
0.961024
0.973936
0.986915
1
0
0.025
0.05
0.075
0.1
0.125
0.15
0.175
0.2
0.225
0.25
0.275
0.3
0.325
0.35
0.375
0.4
0.425
0.45
0.475
0.5
0.525
0.55
0.575
0.6
0.625
0.65
0.675
0.7
0.725
0.75
0.775
0.8
0.825
0.85
0.875
0.9
0.925
0.95
0.975
1
TOTAL
PRES
bar
0.0767
0.082947
0.089034
0.094947
0.100698
0.106293
0.111738
0.117038
0.122199
0.127226
0.132124
0.1369
0.141558
0.146104
0.150542
0.154878
0.159117
0.163264
0.167323
0.171301
0.175201
0.179029
0.182789
0.186486
0.190126
0.193711
0.197248
0.200741
0.204195
0.207613
0.211
0.214362
0.217701
0.221023
0.224331
0.22763
0.230923
0.234214
0.237508
0.240807
0.244114
VAPOR LIQUID
MOLEFRACMOLEFRAC
C6H6
C6H6
0
0.098035
0.180509
0.250912
0.311774
0.364967
0.411906
0.453681
0.491146
0.524978
0.555725
0.58383
0.60966
0.633518
0.65566
0.676302
0.695626
0.713791
0.730935
0.747174
0.762615
0.777348
0.791456
0.805013
0.818084
0.830729
0.843004
0.854958
0.866639
0.878091
0.889355
0.900472
0.911478
0.922413
0.933311
0.944209
0.955144
0.966153
0.977272
0.988541
1
0
0.025
0.05
0.075
0.1
0.125
0.15
0.175
0.2
0.225
0.25
0.275
0.3
0.325
0.35
0.375
0.4
0.425
0.45
0.475
0.5
0.525
0.55
0.575
0.6
0.625
0.65
0.675
0.7
0.725
0.75
0.775
0.8
0.825
0.85
0.875
0.9
0.925
0.95
0.975
1
Temperature (K)
T-x-y Data Vs SRK

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
L SRK
V SRK
0
0.2
0.4
0.6
0.8
P-x-y Data Vs SRK

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
V SRK
0.05
L SRK
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
K
384.1176
382.5389
381.0392
379.616
378.2642
376.9795
375.7574
374.594
373.4855
372.4284
371.4194
370.4555
369.5337
368.6515
367.8063
366.9959
366.218
365.4706
364.7518
364.0597
363.3928
362.7495
362.1281
361.5275
360.9462
360.383
359.8367
359.3062
358.7906
358.2887
357.7998
357.3228
356.857
356.4016
355.9559
355.5192
355.0908
354.6701
354.2565
353.8497
353.4462
VAPOR LIQUID
MOLEFRACMOLEFRAC
C6H6
C6H6
0
0.066752
0.127833
0.183872
0.235412
0.282933
0.326859
0.367562
0.405373
0.440582
0.473449
0.504204
0.533052
0.560176
0.58574
0.609891
0.63276
0.654468
0.675121
0.694819
0.713649
0.731694
0.749027
0.765717
0.781828
0.797417
0.81254
0.827247
0.841586
0.855604
0.869342
0.882842
0.896145
0.909288
0.922311
0.935249
0.948141
0.961024
0.973936
0.986915
1
0
0.025
0.05
0.075
0.1
0.125
0.15
0.175
0.2
0.225
0.25
0.275
0.3
0.325
0.35
0.375
0.4
0.425
0.45
0.475
0.5
0.525
0.55
0.575
0.6
0.625
0.65
0.675
0.7
0.725
0.75
0.775
0.8
0.825
0.85
0.875
0.9
0.925
0.95
0.975
1
TOTAL
PRES
bar
0.0767
0.082947
0.089034
0.094947
0.100698
0.106293
0.111738
0.117038
0.122199
0.127226
0.132124
0.1369
0.141558
0.146104
0.150542
0.154878
0.159117
0.163264
0.167323
0.171301
0.175201
0.179029
0.182789
0.186486
0.190126
0.193711
0.197248
0.200741
0.204195
0.207613
0.211
0.214362
0.217701
0.221023
0.224331
0.22763
0.230923
0.234214
0.237508
0.240807
0.244114
VAPOR LIQUID
MOLEFRACMOLEFRAC
C6H6
C6H6
0
0.098035
0.180509
0.250912
0.311774
0.364967
0.411906
0.453681
0.491146
0.524978
0.555725
0.58383
0.60966
0.633518
0.65566
0.676302
0.695626
0.713791
0.730935
0.747174
0.762615
0.777348
0.791456
0.805013
0.818084
0.830729
0.843004
0.854958
0.866639
0.878091
0.889355
0.900472
0.911478
0.922413
0.933311
0.944209
0.955144
0.966153
0.977272
0.988541
1
0
0.025
0.05
0.075
0.1
0.125
0.15
0.175
0.2
0.225
0.25
0.275
0.3
0.325
0.35
0.375
0.4
0.425
0.45
0.475
0.5
0.525
0.55
0.575
0.6
0.625
0.65
0.675
0.7
0.725
0.75
0.775
0.8
0.825
0.85
0.875
0.9
0.925
0.95
0.975
1
Temperature (K)
T-x-y Data Vs COSMO

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
COSMO V
COSMO L
0
0.2
0.4
0.6
0.8
P-x-y Data Vs COSMO

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
COSMO L
0.05
COSMO V
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRACPRES
MOLEFRACMOLEFRAC
C6H6
C6H6
C6H6
C6H6
K
bar
383.8291
0
0 0.078808
0
0
382.6528 0.057196
0.025 0.082963 0.073879
0.025
381.5092 0.111072
0.05 0.087118 0.140658
0.05
380.3968 0.161878
0.075 0.09127 0.201316
0.075
379.3146 0.209831
0.1 0.095418 0.256659
0.1
378.2612 0.255135
0.125 0.099563 0.307359
0.125
377.2356 0.297976
0.15 0.103704 0.353978
0.15
376.2366 0.338524
0.175 0.107841 0.396993
0.175
375.2632 0.376934
0.2 0.111975 0.436808
0.2
374.3143 0.413353
0.225 0.116105 0.473768
0.225
373.3891 0.447911
0.25 0.120232 0.508173
0.25
372.4866 0.480732
0.275 0.124355 0.540279
0.275
371.606 0.511927
0.3 0.128476 0.570311
0.3
370.7464
0.5416
0.325 0.132593 0.598466
0.325
369.9071 0.569849
0.35 0.136707 0.624915
0.35
369.0872 0.59676
0.375 0.140818 0.649811
0.375
368.2861 0.622418
0.4 0.144926 0.673288
0.4
367.5031 0.646897
0.425 0.149031 0.695465
0.425
366.7376 0.670268
0.45 0.153134 0.716449
0.45
365.9888 0.692598
0.475 0.157234 0.736335
0.475
365.2562 0.713947
0.5 0.161331 0.755208
0.5
364.5393 0.734371
0.525 0.165427 0.773145
0.525
363.8375 0.753923
0.55 0.16952 0.790215
0.55
363.1503 0.772653
0.575 0.17361 0.806481
0.575
362.4771 0.790607
0.6 0.177699 0.821999
0.6
361.8175 0.807826
0.625 0.181786 0.836822
0.625
361.171 0.824351
0.65 0.185872 0.850995
0.65
360.5372 0.840219
0.675 0.189956 0.864563
0.675
359.9157 0.855466
0.7 0.194038 0.877563
0.7
359.3061 0.870123
0.725 0.198119 0.890033
0.725
358.7079 0.884221
0.75
0.2022 0.902005
0.75
358.1209 0.897789
0.775 0.206279 0.913509
0.775
357.5446 0.910855
0.8 0.210358 0.924574
0.8
356.9786 0.923442
0.825 0.214436 0.935225
0.825
356.4228 0.935575
0.85 0.218514 0.945486
0.85
355.8767 0.947276
0.875 0.222592 0.955379
0.875
355.3401 0.958567
0.9 0.22667 0.964926
0.9
354.8126 0.969467
0.925 0.230749 0.974144
0.925
354.2939 0.979994
0.95 0.234828 0.983051
0.95
353.7839 0.990166
0.975 0.238909 0.991665
0.975
353.2785
1
1 0.24299
1
1
Temperature (K)
T-x-y Data Vs Peng-Rob

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
PEN-ROB L
PEN-ROB V
0
0.2
0.4
0.6
0.8
P-x-y Data Vs Peng-Rob

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
PEN-ROB L
0.05
PEN ROB V
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
VAPOR
LIQUID TOTAL
VAPOR LIQUID
MOLEFRAC MOLEFRACPRES
MOLEFRACMOLEFRAC
C6H6
C6H6
C6H6
C6H6
K
bar
385.2936
0
0 0.077956
0
0
384.071 0.0567939
0.025 0.082358 0.076871
0.025
382.8795 0.1103765
0.05 0.086757 0.14589
0.05
381.7193 0.160981
0.075 0.091149 0.208204
0.075
380.5893 0.2088053
0.1 0.095536 0.264749
0.1
379.4886 0.2540367
0.125 0.099918 0.316295
0.125
378.4161 0.2968482
0.15 0.104295 0.363481
0.15
377.3708 0.3374001
0.175 0.108668 0.406839
0.175
376.3517 0.3758403
0.2 0.113035 0.446822
0.2
375.3579 0.4123059
0.225 0.117397 0.483812
0.225
374.3884 0.4469241
0.25 0.121755 0.518136
0.25
373.4424 0.4798123
0.275 0.126108 0.550074
0.275
372.5191 0.5110796
0.3 0.130456 0.57987
0.3
371.6176 0.5408271
0.325
0.1348 0.607736
0.325
370.7371 0.5691487
0.35 0.13914 0.633856
0.35
369.877 0.5961316
0.375 0.143476 0.65839
0.375
369.0365 0.6218568
0.4 0.147807 0.681483
0.4
368.2149 0.6463994
0.425 0.152135 0.70326
0.425
367.4116 0.6698297
0.45 0.156458 0.723833
0.45
366.6259 0.6922127
0.475 0.160779 0.743301
0.475
365.8572 0.7136094
0.5 0.165095 0.761753
0.5
365.105 0.7340763
0.525 0.169409 0.77927
0.525
364.3686 0.7536663
0.55 0.173719 0.795923
0.55
363.6476 0.7724287
0.575 0.178027 0.811776
0.575
362.9414 0.7904097
0.6 0.182332 0.826889
0.6
362.2495 0.8076524
0.625 0.186635 0.841314
0.625
361.5715 0.824197
0.65 0.190935 0.855099
0.65
360.9068 0.8400813
0.675 0.195234 0.868288
0.675
360.2551 0.8553408
0.7 0.199531 0.880922
0.7
359.6158 0.8700085
0.725 0.203827 0.893037
0.725
358.9887 0.8841156
0.75 0.208123 0.904666
0.75
358.3732 0.8976913
0.775 0.212417 0.915841
0.775
357.769 0.9107631
0.8 0.216712 0.926589
0.8
357.1758 0.9233568
0.825 0.221007 0.936937
0.825
356.5932 0.9354966
0.85 0.225302 0.94691
0.85
356.0207 0.9472056
0.875 0.229599 0.956529
0.875
355.4582 0.9585051
0.9 0.233898 0.965815
0.9
354.9052 0.9694157
0.925 0.238198 0.974788
0.925
354.3615 0.9799564
0.95 0.242501 0.983466
0.95
353.8267 0.9901455
0.975 0.246808 0.991864
0.975
353.296
1
1 0.251118
1
1
Temperature (K)
T-x-y Data Vs Ideal

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
IDEAL L
IDEAL V
0
0.2
0.4
0.6
0.8
P-x-y Data Vs Ideal

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
IDEAL L
0.05
IDEAL V
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C6H6
C6H6
C6H6
C6H6
K
bar
383.8291
0
0 0.078808
0
0
382.66 0.057002
0.025 0.082908 0.073271
0.025
381.523 0.110723
0.05 0.087013 0.139629
0.05
380.4167 0.161407
0.075 0.091117 0.200009
0.075
379.34 0.209269
0.1 0.095222 0.255183
0.1
378.2915 0.254508
0.125 0.099327 0.305796
0.125
377.2703 0.297307
0.15 0.103431 0.352393
0.15
376.2751 0.337833
0.175 0.107536 0.395433
0.175
375.305 0.37624
0.2 0.111641 0.435307
0.2
374.359 0.412669
0.225 0.115745 0.472354
0.225
373.4362 0.447251
0.25 0.11985 0.506863
0.25
372.5356 0.480106
0.275 0.123976 0.539086
0.275
371.6565 0.511344
0.3 0.12808 0.569244
0.3
370.798 0.541068
0.325 0.132185 0.597528
0.325
369.9593 0.569371
0.35 0.136289 0.624109
0.35
369.1397 0.596342
0.375 0.140394 0.649135
0.375
368.3386 0.622061
0.4 0.144499 0.672739
0.4
367.5552 0.646603
0.425 0.148603 0.695039
0.425
366.789 0.670039
0.45 0.152708 0.71614
0.45
366.0393 0.692431
0.475 0.156813 0.736136
0.475
365.3055 0.713841
0.5 0.160917 0.755112
0.5
364.5871 0.734325
0.525 0.165022 0.773144
0.525
363.8836 0.753933
0.55 0.169127
0.7903
0.55
363.1944 0.772716
0.575 0.173231 0.806643
0.575
362.5192 0.790717
0.6 0.177336 0.82223
0.6
361.8574 0.80798
0.625 0.181441 0.837111
0.625
361.2085 0.824544
0.65 0.185545 0.851334
0.65
360.5722 0.840445
0.675 0.18965 0.864941
0.675
359.9481 0.855718
0.7 0.193755 0.877972
0.7
359.3358 0.870395
0.725 0.197859 0.890462
0.725
358.7349 0.884507
0.75 0.201964 0.902444
0.75
358.145 0.898082
0.775 0.206069 0.913948
0.775
357.5659 0.911146
0.8 0.210173 0.925004
0.8
356.9971 0.923725
0.825 0.214278 0.935635
0.825
356.4385 0.935842
0.85 0.218383 0.945867
0.85
355.8896 0.94752
0.875 0.222487 0.955722
0.875
355.3502 0.958778
0.9 0.226592 0.965219
0.9
354.82 0.969638
0.925 0.230697 0.974379
0.925
354.2988 0.980116
0.95 0.234801 0.983218
0.95
353.7863 0.990232
0.975 0.238906 0.991753
0.975
353.2785
1
1 0.24299
1
1
Temperature (K)
T-x-y Data Vs Van Laar

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
VAN LAAR L
VAN LAAR V
0
0.2
0.4
0.6
0.8
P-x-y Data Vs Van Laar

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
VAN LAAR L
0.05
VAN LAAR V
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C6H6
C6H6
C6H6
C6H6
K
bar
384.8462
0
0 0.078522
0
0
383.6986 0.055509
0.025 0.08257 0.072913
0.025
382.5773 0.108022
0.05 0.086629 0.138996
0.05
381.4838 0.157735
0.075 0.090688 0.199165
0.075
380.4171 0.204829
0.1 0.094747 0.254179
0.1
379.3763 0.249474
0.125 0.098807 0.304675
0.125
378.3607 0.291826
0.15 0.102866 0.351187
0.15
377.3692 0.33203
0.175 0.106926 0.394168
0.175
376.4011 0.370221
0.2 0.110986 0.434006
0.2
375.4556 0.406524
0.225 0.115045 0.471033
0.225
374.5319 0.441054
0.25 0.119125 0.505538
0.25
373.6293 0.47392
0.275 0.123185 0.537768
0.275
372.747 0.505221
0.3 0.127245 0.567943
0.3
371.8845 0.535051
0.325 0.131306 0.596251
0.325
371.041 0.563497
0.35 0.135366 0.622862
0.35
370.2159 0.590639
0.375 0.139426 0.647924
0.375
369.4086 0.616554
0.4 0.143487 0.671568
0.4
368.6185 0.64131
0.425 0.147547 0.693911
0.425
367.845 0.664973
0.45 0.151608 0.715057
0.45
367.0876 0.687605
0.475 0.155669 0.735101
0.475
366.3422 0.709304
0.5 0.15973 0.754126
0.5
365.6154 0.730039
0.525 0.163791 0.772208
0.525
364.9033 0.749902
0.55 0.167852 0.789415
0.55
364.2053 0.768941
0.575 0.171913 0.80581
0.575
363.521 0.787199
0.6 0.175974 0.821449
0.6
362.85 0.804716
0.625 0.180036 0.836382
0.625
362.1959 0.821503
0.65 0.184097 0.850657
0.65
361.5462 0.837683
0.675 0.188159 0.864316
0.675
360.9167 0.853176
0.7 0.192221 0.877398
0.7
360.295 0.868097
0.725 0.196282 0.889939
0.725
359.6846 0.882447
0.75 0.200344 0.901971
0.75
359.0852 0.896254
0.775 0.204406 0.913526
0.775
358.4966 0.909546
0.8 0.208469 0.924631
0.8
357.9184 0.922346
0.825 0.212531 0.935312
0.825
357.3503 0.934679
0.85 0.216593 0.945592
0.85
356.792 0.946566
0.875 0.220656 0.955494
0.875
356.2432 0.958028
0.9 0.224718 0.965039
0.9
355.7037 0.969084
0.925 0.228781 0.974244
0.925
355.1733 0.979753
0.95 0.232844 0.983129
0.95
354.6516 0.990053
0.975 0.236907 0.991709
0.975
354.1344
1
1 0.240951
1
1
Temperature (K)
T-x-y Data Vs Wilson

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
WILISON L
WILISON V
0
0.2
0.4
0.6
0.8

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
WILISON L
0.05
WILISON V
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C6H6
C6H6
C6H6
C6H6
K
bar
383.8291
0
0 0.078808
0
0
382.6884 0.056243
0.025 0.082937 0.073602
0.025
381.5702 0.109538
0.05 0.087076 0.140274
0.05
380.4748 0.160041
0.075 0.091219 0.200941
0.075
379.4026 0.207893
0.1 0.095366 0.256372
0.1
378.3537 0.253234
0.125 0.099516 0.307209
0.125
377.3282 0.296205
0.15 0.103669 0.353995
0.15
376.3259 0.336939
0.175 0.107824 0.39719
0.175
375.3443 0.375612
0.2 0.11198 0.437186
0.2
374.3874 0.412259
0.225 0.116138 0.474321
0.225
373.4529 0.44704
0.25 0.120296 0.508887
0.25
372.5402 0.480069
0.275 0.124454 0.541138
0.275
371.6491 0.511451
0.3 0.128612 0.571296
0.3
370.7788 0.541285
0.325 0.132768 0.599554
0.325
369.9289 0.569667
0.35 0.136943 0.626085
0.35
369.099 0.596685
0.375 0.141097 0.651053
0.375
368.2918 0.622375
0.4 0.145248 0.674579
0.4
367.5 0.64691
0.425 0.149366 0.696741
0.425
366.7262 0.670314
0.45 0.153507 0.717716
0.45
365.9701 0.692655
0.475 0.157643 0.737573
0.475
365.2311 0.713997
0.5 0.161773 0.756398
0.5
364.5085 0.734399
0.525 0.165897 0.774269
0.525
363.802 0.753917
0.55 0.170015 0.791258
0.55
363.1109 0.772601
0.575 0.174127 0.807428
0.575
362.4348 0.790502
0.6 0.178231 0.82284
0.6
361.7731 0.807665
0.625 0.182328 0.837546
0.625
361.1254 0.824131
0.65 0.186416 0.851595
0.65
360.4912 0.83994
0.675 0.190497 0.865035
0.675
359.8701 0.855131
0.7 0.19457 0.877905
0.7
359.2616 0.869737
0.725 0.198635 0.890246
0.725
358.6652 0.883792
0.75 0.202692 0.902093
0.75
358.0805 0.897326
0.775 0.206741 0.91348
0.775
357.5072 0.910369
0.8 0.210783 0.924439
0.8
356.9448 0.922948
0.825 0.214818
0.935
0.825
356.3929 0.935089
0.85 0.218848 0.945191
0.85
355.8512 0.946815
0.875 0.222873 0.955038
0.875
355.3193 0.95815
0.9 0.226895 0.964568
0.9
354.7967 0.969116
0.925 0.230915 0.973806
0.925
354.2832 0.979733
0.95 0.234936 0.982774
0.95
353.7784 0.990022
0.975 0.23896 0.991498
0.975
353.2785
1
1 0.24299
1
1
Temperature (K)
T-x-y Data Vs NTLR

Benzene Toluene
390
385
380
375
370
365
360
355
350
VLE-028 L
VLE-028 V
NTLR L
NTLR V
0
0.2
0.4
0.6
0.8
P-x-y Data Vs NTLR

Benzene Toluene
Pressure (Bar)
0.25
0.2
0.15
VLE-043 L
0.1
VLE-043 V
NTRL L
0.05
NTRL V
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C6H6
C6H6
C6H6
C6H6
K
bar
383.8291
0
0 0.078808
0
0
382.6885 0.05624
0.025 0.082929 0.073521
0.025
381.5704 0.109534
0.05 0.087063 0.140164
0.05
380.475 0.160039
0.075 0.091204 0.200836
0.075
379.4027 0.207892
0.1 0.09535 0.256291
0.1
378.3538 0.253235
0.125 0.099502 0.307164
0.125
377.3282 0.296207
0.15 0.103657 0.353988
0.15
376.3259 0.336941
0.175 0.107816 0.397219
0.175
375.3443 0.375614
0.2 0.111976 0.437248
0.2
374.3874 0.41226
0.225 0.116138 0.47441
0.225
373.4529 0.44704
0.25
0.1203 0.508996
0.25
372.5403 0.480066
0.275 0.124462 0.541261
0.275
371.6492 0.511445
0.3 0.128623 0.571424
0.3
370.7791 0.541276
0.325 0.132781 0.599682
0.325
369.9294 0.569654
0.35 0.136959 0.62621
0.35
369.0996 0.596667
0.375 0.141115 0.651171
0.375
368.2926 0.622354
0.4 0.145238 0.674646
0.4
367.501 0.646885
0.425 0.149382 0.696818
0.425
366.7275 0.670286
0.45 0.15352 0.717772
0.45
365.9716 0.692625
0.475 0.157653 0.737607
0.475
365.2328 0.713965
0.5 0.161779 0.75641
0.5
364.5105 0.734365
0.525 0.165899 0.774259
0.525
363.8042 0.753883
0.55 0.170011 0.791228
0.55
363.1134 0.772568
0.575 0.174116 0.80738
0.575
362.4374 0.79047
0.6 0.178214 0.822776
0.6
361.7759 0.807635
0.625 0.182304 0.837469
0.625
361.1284 0.824104
0.65 0.186387 0.851511
0.65
360.4943 0.839917
0.675 0.190461 0.864945
0.675
359.8732 0.855112
0.7 0.194529 0.877815
0.7
359.2646 0.869724
0.725 0.198589 0.89016
0.725
358.6682 0.883784
0.75 0.202643 0.902015
0.75
358.0834 0.897324
0.775 0.20669 0.913413
0.775
357.51 0.910373
0.8 0.210732 0.924387
0.8
356.9474 0.922957
0.825 0.214769 0.934964
0.825
356.3952 0.935102
0.85 0.218802 0.945172
0.85
355.8532 0.946832
0.875 0.222832 0.955037
0.875
355.3209 0.958169
0.9 0.226861 0.964582
0.9
354.798 0.969134
0.925 0.230889 0.97383
0.925
354.2841 0.979749
0.95 0.234919 0.982803
0.95
353.7789 0.990032
0.975 0.238952 0.991519
0.975
353.2785
1
1 0.24299
1
1
Temperature (K)

Methanol Benzene
346
344
342
340
338
336
334
332
330
VLE-060 L
VLE-060 V
0.2
0.4
0.6
0.8

Methanol Benzene
0.7
Pressure (Bar)
0.6
0.5
0.4
0.3
VLE-105 L
0.2
VLE-105 V
0.1
0
0
0.2
0.4
0.6
0.8
L Mole Frac Temp

V molfrac
0.026
343.82
0.267
0.05
339.59
0.371
0.088
336.02
0.457
0.164
333.35
0.526
0.333
331.79
0.559
0.699
331.25
0.633
0.782
331.62
0.665
0.898
333.05
0.76
0.973
335.86
0.907
0.549
331.17
0.595

0
0
0.0037
0.0882
0.0102
0.1567
0.0161
0.2364
0.0207
0.2794
0.0314
0.3391
0.0431
0.3794
0.0613
0.4306
0.0854
0.4642
0.1263
0.4921
0.1811
0.5171
0.2334
0.5288
0.3217
0.545
0.3805
0.5538
0.4201
0.559
0.4746
0.5673
0.542
0.5783
0.5716
0.5821
0.6164
0.5908
0.6509
0.599
0.6793
0.6067
0.7259
0.6216
0.7575
0.6346
0.8171
0.6681
0.8744
0.7181
0.9033
0.7525
0.9264
0.7896
0.9497
0.8368
Pressure (Bar)
29894
0.29894
32744
0.32744
35358
0.35358
38587
0.38587
40962
0.40962
44231
0.44231
46832
0.46832
50488
0.50488
53224
0.53224
55571
0.55571
57454
0.57454
58427
0.58427
59402
0.59402
59802
0.59802
60015
0.60015
60242
0.60242
60416
0.60416
60443
0.60443
60416
0.60416
60350
0.6035
60215
0.60215
59868
0.59868
59482
0.59482
58321
0.58321
56213
0.56213
54692
0.54692
53037
0.53037
51009
0.51009
T-x-y Data Vs SRK

Methanol Benzene
390
Temperature (K)
380
370
360
VLE-060 L
350
VLE-060 V
340
L SRK
330
V SRK
320
0
0.2
0.4
0.6
0.8
P-x-y Data Vs SRK

Methanol Benzene
0.7
Pressure (Bar)
0.6
0.5
0.4
VLE-105 L
0.3
VLE-105 V
0.2
V SRK
0.1
L SRK
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
K
338.5119
338.4199
338.3689
338.3514
338.3619
338.3961
338.4521
338.5272
338.62
338.7295
338.8552
338.9951
339.1522
339.3254
339.5148
339.7211
339.9445
340.1859
340.4485
340.7276
341.0268
341.3469
341.689
342.0541
342.4433
342.8579
343.2993
343.7688
344.268
344.8035
345.369
345.97
346.6088
347.2877
348.0095
348.7773
349.5944
350.4645
351.3919
352.3812
353.4462
VAPOR LIQUID
MOLEFRACMOLEFRAC
CH4O
CH4O
1
0.972103
0.947209
0.924654
0.903928
0.884614
0.866423
0.84908
0.832371
0.816121
0.800181
0.784395
0.768707
0.752997
0.737175
0.72116
0.704878
0.688256
0.671257
0.653742
0.635676
0.616989
0.59761
0.57746
0.55646
0.534524
0.51156
0.487467
0.462137
0.435486
0.407315
0.377507
0.345898
0.312304
0.276517
0.238304
0.197398
0.153493
0.106239
0.055231
0
1
0.975
0.95
0.925
0.9
0.875
0.85
0.825
0.8
0.775
0.75
0.725
0.7
0.675
0.65
0.625
0.6
0.575
0.55
0.525
0.5
0.475
0.45
0.425
0.4
0.375
0.35
0.325
0.3
0.275
0.25
0.225
0.2
0.175
0.15
0.125
0.1
0.075
0.05
0.025
0
TOTAL
PRES
bar
0.408821
0.414793
0.419332
0.422744
0.42527
0.427085
0.428316
0.429059
0.429384
0.429342
0.428971
0.428299
0.427346
0.426126
0.424648
0.422918
0.420941
0.418719
0.416252
0.41354
0.410583
0.407379
0.403927
0.400225
0.396272
0.392065
0.387604
0.382887
0.377912
0.372679
0.367186
0.361434
0.35542
0.349147
0.342612
0.335817
0.328761
0.321445
0.31387
0.306036
0.297945
VAPOR LIQUID
MOLEFRACMOLEFRAC
CH4O
CH4O
1
0.961974
0.929732
0.901767
0.877012
0.854689
0.834219
0.81516
0.797167
0.779968
0.763343
0.747111
0.731121
0.715245
0.699371
0.6834
0.667244
0.650821
0.634055
0.616871
0.599199
0.580967
0.562106
0.542541
0.522199
0.500998
0.478857
0.455686
0.431388
0.405859
0.378984
0.35064
0.320686
0.28897
0.255319
0.21954
0.181417
0.140702
0.097116
0.050339
0
1
0.975
0.95
0.925
0.9
0.875
0.85
0.825
0.8
0.775
0.75
0.725
0.7
0.675
0.65
0.625
0.6
0.575
0.55
0.525
0.5
0.475
0.45
0.425
0.4
0.375
0.35
0.325
0.3
0.275
0.25
0.225
0.2
0.175
0.15
0.125
0.1
0.075
0.05
0.025
0
Temperature (K)
T-x-y Data Vs COSMO

Methanol Benzene
348
346
344
342
340
338
336
334
332
330
VLE-060 L
VLE-060 V
COSMO V
COSMO L
0
0.2
0.4
0.6
0.8
P-x-y Data Vs COSMO

Mathanol Benzene
0.7
Pressure (Bar)
0.6
0.5
0.4
VLE-105 L
0.3
VLE-105 V
0.2
COSMO L
0.1
COSMO V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
CH4O
CH4O
CH4O
CH4O
K
bar
337.6846
1
1 0.444939
1
1
337.1888 0.956782
0.975 0.456255 0.951406
0.975
336.777 0.919046
0.95 0.465912 0.909688
0.95
336.4356 0.885753
0.925 0.474088 0.873387
0.925
336.1535
0.8561
0.9 0.481009 0.841422
0.9
335.9221 0.829459
0.875 0.486846 0.812976
0.875
335.7341 0.805332
0.85 0.49174 0.78742
0.85
335.5837 0.783319
0.825 0.495811 0.764262
0.825
335.4661 0.763094
0.8 0.499159 0.743108
0.8
335.3776 0.744389
0.775 0.501866 0.723642
0.775
335.3149 0.726982
0.75 0.504005 0.705605
0.75
335.2754 0.710685
0.725 0.505634 0.688783
0.725
335.2557 0.695309
0.7 0.506804 0.672997
0.7
335.257 0.680791
0.675 0.507555 0.658093
0.675
335.2764 0.666972
0.65 0.507923 0.643941
0.65
335.3126 0.653746
0.625 0.507937 0.630429
0.625
335.365 0.641021
0.6 0.50762 0.617455
0.6
335.4307 0.628664
0.575 0.50699 0.604931
0.575
335.5129 0.616678
0.55 0.506062 0.592776
0.55
335.6101 0.604959
0.525 0.504845 0.580915
0.525
335.7225 0.59344
0.5 0.503345 0.569277
0.5
335.8505 0.582055
0.475 0.501564 0.557796
0.475
335.9945 0.570739
0.45
0.4995 0.546404
0.45
336.1556 0.559423
0.425 0.497148 0.535034
0.425
336.3349 0.548039
0.4 0.494495 0.523616
0.4
336.5339 0.536511
0.375 0.491527 0.512077
0.375
336.7549 0.524755
0.35 0.488221 0.500334
0.35
337.0002 0.512675
0.325 0.484549 0.488297
0.325
337.2733 0.500162
0.3 0.480474 0.475858
0.3
337.5785 0.48708
0.275 0.475946 0.46289
0.275
337.9214 0.473264
0.25 0.470902 0.449236
0.25
338.3093
0.4585
0.225 0.465259 0.434696
0.225
338.7524 0.442505
0.2 0.458907 0.419009
0.2
339.2601 0.424843
0.175 0.451693 0.401815
0.175
339.8606 0.405048
0.15 0.443403 0.382605
0.15
340.5807 0.382226
0.125 0.433723 0.360607
0.125
341.4698 0.354989
0.1 0.422158 0.334572
0.1
342.6161 0.320827
0.075 0.407863 0.302261
0.075
344.2009 0.27445
0.05 0.389095 0.258995
0.05
346.7129 0.201112
0.025 0.361724 0.191759
0.025

Methanol Benzene
Temperature (K)
355
350
345
VLE-060 L
340
VLE-060 V
PEN-ROB L
335
PEN-ROB V
330
0
0.2
0.4
0.6
0.8

Methanol Benzene
0.7
Pressure (Bar)
0.6
0.5
0.4
VLE-105 L
0.3
VLE-105 V
0.2
PEN-ROB L
0.1
PEN ROB V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR
LIQUID TOTAL
VAPOR LIQUID
MOLEFRACMOLEFRAC
CH4O
CH4O
CH4O
CH4O
K
bar
337.1958
1
1 0.442412
1
1
337.1263 0.9729381
0.975 0.447619 0.964517
0.975
337.094 0.948751
0.95 0.451521 0.93416
0.95
337.0941 0.9268057
0.925 0.454351 0.907627
0.925
337.121 0.9065989
0.9 0.456334 0.883983
0.9
337.1719 0.8877748
0.875 0.457633 0.86254
0.875
337.2437 0.8700094
0.85 0.458366 0.842779
0.85
337.3343 0.8530529
0.825 0.458622
0.8243
0.825
337.4425 0.8367004
0.8 0.458466 0.806789
0.8
337.5674 0.8207813
0.775 0.457945 0.789997
0.775
337.707 0.8051233
0.75 0.457094 0.773719
0.75
337.8639 0.7896541
0.725 0.455937 0.757786
0.725
338.0369 0.774244
0.7 0.454493 0.742057
0.7
338.2263 0.7587971
0.675 0.452772 0.72641
0.675
338.4325 0.7432265
0.65 0.450785 0.710737
0.65
338.6558 0.727452
0.625 0.448535 0.694944
0.625
338.897 0.7113982
0.6 0.446025 0.678944
0.6
339.1567 0.6949928
0.575 0.443256 0.662656
0.575
339.4356 0.6781652
0.55 0.44023 0.646005
0.55
339.7377 0.6608789
0.525 0.436943 0.628917
0.525
340.0576 0.6429921
0.5 0.433397 0.61132
0.5
340.3995 0.624469
0.475 0.429587 0.593141
0.475
340.7644 0.605235
0.45 0.425514 0.574308
0.45
341.1535 0.5852116
0.425 0.421174 0.554745
0.425
341.5679 0.5643154
0.4 0.416566 0.534374
0.4
342.0092 0.5424571
0.375 0.411687 0.513111
0.375
342.4787 0.5195402
0.35 0.406537 0.490868
0.35
342.978 0.4954598
0.325 0.401113 0.467549
0.325
343.5088 0.4701012
0.3 0.395414 0.443052
0.3
344.0731 0.4433376
0.275 0.389439 0.417265
0.275
344.6785 0.4150671
0.25 0.383187 0.390062
0.25
345.3177 0.3850627
0.225 0.376657 0.361309
0.225
345.9971 0.3531806
0.2 0.369848 0.330852
0.2
346.7197 0.3192237
0.175 0.362761 0.298522
0.175
347.4884 0.2829687
0.15 0.355394 0.264128
0.15
348.3066 0.2441618
0.125 0.347749 0.227455
0.125
349.1779 0.202513
0.1 0.339826 0.188259
0.1
350.1068 0.1576893
0.075 0.331625 0.14626
0.075
351.0977 0.1093061
0.05 0.323146 0.10114
0.05
352.1562 0.0569168
0.025 0.314392 0.052529
0.025
T-x-y Data Vs Ideal

Methanol Benzene
Temperature (K)
355
350
345
VLE-060 L
340
VLE-060 V
IDEAL L
335
IDEAL V
330
0
0.2
0.4
0.6
0.8
P-x-y Data Vs Ideal

Methanol Benzene
0.7
Pressure (Bar)
0.6
0.5
0.4
VLE-105 L
0.3
VLE-105 V
0.2
IDEAL L
0.1
IDEAL V
0
0
0.2
0.4
0.6
0.8
1.2
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
CH4O
CH4O
CH4O
CH4O
K
bar
337.6846
1
1 0.444939
1
1
337.9394 0.984809
0.975 0.441238 0.983159
0.975
338.198 0.969348
0.95 0.437527 0.966033
0.95
338.4608 0.953607
0.925 0.433835 0.948616
0.925
338.7279 0.937576
0.9 0.430143
0.9309
0.9
338.9995 0.921246
0.875 0.42645 0.912877
0.875
339.2756 0.904605
0.85 0.422758 0.89454
0.85
339.5564 0.887642
0.825 0.419066 0.875879
0.825
339.8421 0.870343
0.8 0.415374 0.856886
0.8
340.1329 0.852697
0.775 0.411682 0.837553
0.775
340.4289 0.83469
0.75 0.407989 0.81787
0.75
340.7303 0.816307
0.725 0.404297 0.797828
0.725
341.0373 0.797532
0.7 0.400605 0.777416
0.7
341.3501 0.778351
0.675 0.396913 0.756624
0.675
341.669 0.758745
0.65 0.39322 0.735442
0.65
341.9941 0.738696
0.625 0.389528 0.713858
0.625
342.3257 0.718185
0.6 0.385836 0.691862
0.6
342.6641 0.697191
0.575 0.382144 0.66944
0.575
343.0095 0.675692
0.55 0.378452 0.646581
0.55
343.3622 0.653665
0.525 0.374759 0.623271
0.525
343.7225 0.631084
0.5 0.371067 0.599498
0.5
344.0907 0.607922
0.475 0.367375 0.575246
0.475
344.4673 0.58415
0.45 0.363683 0.550503
0.45
344.8526 0.559738
0.425 0.359991 0.525251
0.425
345.2469 0.534652
0.4 0.356298 0.499477
0.4
345.6506 0.508856
0.375 0.352606 0.473163
0.375
346.0644 0.482312
0.35 0.348914 0.446291
0.35
346.4885 0.454977
0.325 0.345222 0.418845
0.325
346.9237 0.426806
0.3 0.341529 0.390806
0.3
347.3741 0.397797
0.275 0.337837 0.362154
0.275
347.8333 0.367804
0.25 0.334145 0.332868
0.25
348.3054 0.336813
0.225 0.330453 0.302929
0.225
348.7912 0.304761
0.2 0.326761 0.272312
0.2
349.2912 0.271578
0.175 0.323068 0.240996
0.175
349.8066 0.237186
0.15 0.319376 0.208956
0.15
350.338
0.2015
0.125 0.315684 0.176167
0.125
350.8868 0.164427
0.1 0.311992 0.142601
0.1
351.4538 0.125863
0.075
0.3083 0.108232
0.075
352.0404 0.085693
0.05 0.304607 0.073029
0.05
352.6481 0.043787
0.025 0.300915 0.036962
0.025

Methanol Benzene
Temperature (K)
360
355
350
VLE-060 L
345
VLE-060 V
340
VAN LAAR L
335
VAN LAAR V
330
0
0.2
0.4
0.6
0.8

Methanol Benzene
0.7
Pressure (Bar)
0.6
0.5
0.4
VLE-105 L
0.3
VLE-105 V
0.2
VAN LAAR L
0.1
VAN LAAR V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
CH4O
CH4O
CH4O
CH4O
K
bar
338.0354
1
1 0.441834
1
1
338.2963 0.984872
0.975 0.43814 0.983198
0.975
338.5606 0.969474
0.95 0.434432 0.966111
0.95
338.8293 0.953797
0.925 0.430745 0.948732
0.925
339.1024 0.93783
0.9 0.427058 0.931054
0.9
339.3802 0.921563
0.875 0.423372 0.913068
0.875
339.6627 0.904986
0.85 0.419685 0.894767
0.85
339.9502 0.888086
0.825 0.415998 0.876141
0.825
340.2427 0.87085
0.8 0.412311 0.857183
0.8
340.5405 0.853267
0.775 0.408624 0.837884
0.775
340.8438 0.835322
0.75 0.404937 0.818233
0.75
341.1527 0.817001
0.725 0.40125 0.798222
0.725
341.4675 0.798287
0.7 0.397563 0.77784
0.7
341.7884 0.779166
0.675 0.393876 0.757077
0.675
342.1155 0.759619
0.65 0.390188 0.735921
0.65
342.4493 0.739627
0.625 0.386501 0.714363
0.625
342.7898 0.719172
0.6 0.382814 0.69239
0.6
343.1374 0.698232
0.575 0.379126 0.66999
0.575
343.4924 0.676784
0.55 0.375439 0.64715
0.55
343.8551 0.654805
0.525 0.371751 0.623858
0.525
344.2258 0.63227
0.5 0.368063 0.600099
0.5
344.6049 0.60915
0.475 0.364376 0.57586
0.475
344.9927 0.585417
0.45 0.360688 0.551126
0.45
345.3896 0.561039
0.425
0.357 0.525882
0.425
345.7961 0.535982
0.4 0.353312 0.500111
0.4
346.2126 0.510209
0.375 0.349624 0.473796
0.375
346.6397 0.48368
0.35 0.345936 0.446921
0.35
347.0814 0.456401
0.325 0.342248 0.419468
0.325
347.5315 0.428233
0.3 0.33856 0.391416
0.3
347.9939 0.399169
0.275 0.334872 0.362748
0.275
348.4693 0.369154
0.25 0.331184 0.333441
0.25
348.9583 0.338129
0.225 0.327496 0.303475
0.225
349.4618 0.306028
0.2 0.323807 0.272826
0.2
349.9807 0.272778
0.175 0.320119 0.241472
0.175
350.5158 0.238301
0.15 0.31643 0.209387
0.15
351.0682 0.202507
0.125 0.312742 0.176546
0.125
351.6391 0.165302
0.1 0.309053 0.142922
0.1
352.2296 0.126575
0.075 0.305365 0.108485
0.075
352.8412 0.086209
0.05 0.301676 0.073207
0.05
353.4754 0.044067
0.025 0.297987 0.037057
0.025
354.1344
0
0 0.294315
0
0

Methanol Benzene
Temperature (K)
355
350
345
VLE-060 L
340
VLE-060 V
335
WILISON L
330
WILISON V
325
0
0.2
0.4
0.6
0.8

Methanol Benzene
0.7
Pressure (Bar)
0.6
0.5
0.4
VLE-105 L
0.3
VLE-105 V
0.2
WILISON L
0.1
WILISON V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
CH4O
CH4O
CH4O
CH4O
K
bar
337.6846
1
1 0.444939
1
1
336.0987 0.916933
0.975 0.488752 0.889317
0.975
334.8688 0.854015
0.95 0.519736 0.81923
0.95
333.9247 0.805826
0.925 0.542114 0.771277
0.925
333.2032 0.768375
0.9 0.558477 0.736648
0.9
332.6525 0.738791
0.875 0.57057 0.710616
0.875
332.2325 0.715034
0.85 0.579572 0.690422
0.85
331.9126 0.695655
0.825 0.586302 0.674354
0.825
331.6697 0.679613
0.8 0.59134 0.661293
0.8
331.4866 0.666153
0.775 0.595098 0.65048
0.775
331.3503 0.654716
0.75 0.59788 0.641379
0.75
331.2508 0.644887
0.725 0.599907 0.633605
0.725
331.1806 0.636346
0.7 0.601346 0.626872
0.7
331.1339 0.628849
0.675 0.60232 0.620961
0.675
331.1061 0.622205
0.65 0.602922 0.615706
0.65
331.091 0.616226
0.625 0.603221 0.610971
0.625
331.0934 0.610881
0.6 0.603269 0.60665
0.6
331.1067 0.606002
0.575 0.603103 0.602652
0.575
331.1292 0.601507
0.55 0.602749 0.598901
0.55
331.1551 0.597302
0.525 0.602222 0.59533
0.525
331.1911 0.593365
0.5 0.601529 0.591878
0.5
331.234 0.589622
0.475 0.60067 0.588486
0.475
331.2836 0.586019
0.45 0.599633 0.585098
0.45
331.3402 0.582503
0.425
0.5984 0.581654
0.425
331.4044 0.57902
0.4 0.596943 0.578091
0.4
331.4772 0.575511
0.375 0.595219 0.574337
0.375
331.5602 0.571911
0.35 0.593171 0.570308
0.35
331.6557 0.568145
0.325 0.590725 0.565902
0.325
331.767 0.564119
0.3 0.587776 0.560989
0.3
331.8985 0.559716
0.275 0.584188 0.555405
0.275
332.0568 0.554777
0.25 0.579775 0.548927
0.25
332.2512 0.549092
0.225 0.574283 0.541252
0.225
332.4953 0.542356
0.2 0.56736 0.531948
0.2
332.8096 0.534123
0.175 0.558406 0.520381
0.175
333.2261 0.523705
0.15 0.546915 0.505583
0.15
333.7948 0.509909
0.125 0.531744 0.485992
0.125
334.6096 0.490849
0.1 0.511321 0.458935
0.1
335.8393 0.462593
0.075 0.483198 0.419431
0.075
337.8561 0.416205
0.05 0.443431 0.35708
0.05
341.7079 0.324187
0.025 0.385376 0.246041
0.025
353.2781
0
0 0.297243
0
0
T-x-y Data Vs NTLR

Methanol Benzene
Temperature (K)
355
350
345
VLE-060 L
340
VLE-060 V
NTLR L
335
NTLR V
330
0
0.2
0.4
0.6
0.8
P-x-y Data Vs NTLR

Methanol Benzene
0.7
Pressure (Bar)
0.6
0.5
0.4
VLE-105 L
0.3
VLE-105 V
0.2
NTRL L
0.1
NTRL V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
CH4O
CH4O
CH4O
CH4O
K
bar
337.6846
1
1 0.444939
1
1
336.1601 0.918969
0.975 0.477255 0.91017
0.975
334.9714 0.856777
0.95 0.502442 0.845604
0.95
334.0459 0.808251
0.925 0.522108 0.797371
0.925
333.3259 0.769793
0.9 0.537429 0.760276
0.9
332.7665 0.738877
0.875 0.549334 0.731095
0.875
332.3328 0.713709
0.85 0.558547 0.707719
0.85
331.9981 0.692988
0.825 0.565635 0.688712
0.825
331.7416 0.675762
0.8 0.571044 0.673062
0.8
331.547 0.66132
0.775 0.575124 0.660033
0.775
331.4016 0.649123
0.75 0.578154 0.649079
0.75
331.2955 0.638758
0.725 0.580354 0.639784
0.725
331.2167 0.629886
0.7 0.581897 0.631827
0.7
331.1675 0.622303
0.675 0.58292 0.624952
0.675
331.1379 0.615767
0.65 0.583533 0.618954
0.65
331.1239 0.610115
0.625 0.583818 0.613666
0.625
331.122 0.605213
0.6 0.583839 0.608946
0.6
331.1297 0.60095
0.575 0.583645 0.604674
0.575
331.1445 0.597232
0.55 0.583267 0.600744
0.55
331.1649 0.593977
0.525 0.582724 0.59706
0.525
331.1866 0.591138
0.5 0.582024 0.593533
0.5
331.2133 0.588598
0.475 0.581161 0.590075
0.475
331.2427 0.586307
0.45 0.580118 0.586601
0.45
331.2747 0.584197
0.425 0.578863 0.583017
0.425
331.3098 0.582193
0.4 0.577349 0.579226
0.4
331.3491 0.580213
0.375 0.575512 0.575115
0.375
331.3947 0.578162
0.35 0.573264 0.570555
0.35
331.4496 0.575929
0.325 0.570492 0.56539
0.325
331.5183 0.573373
0.3 0.56705 0.559428
0.3
331.6075 0.570321
0.275 0.56275 0.552427
0.275
331.7262 0.566548
0.25 0.55735 0.544073
0.25
331.8875 0.56176
0.225 0.550541 0.53395
0.225
332.1102 0.555515
0.2 0.541925 0.521488
0.2
332.4199 0.54731
0.175 0.530987 0.505891
0.175
332.856 0.536287
0.15 0.517062 0.485997
0.15
333.4783 0.521155
0.125 0.499284 0.46005
0.125
334.3852 0.499738
0.1 0.476518 0.425258
0.1
335.7532 0.467951
0.075 0.447271 0.376887
0.075
337.9498 0.416741
0.05 0.409561 0.306228
0.05
341.9716 0.319226
0.025 0.36074 0.195296
0.025
353.2781
0
0 0.297243
0
0

Acetone Water
390
Temperature (K)
380
370
360
350
VLE-110 L
340
VLE-110 V
330
320
0
0.2
0.4
0.6
0.8

Acetone Water
Pressure (Bar)
0.5
0.4
0.3
VLE-083 L
0.2
VLE-083 V
0.1
0
0
0.2
0.4
0.6
0.8
L Mole Frac Temp

V molfrac
0.004
368.95
0.129
0.013
363.5
0.252
0.014
363.15
0.35
0.036
353
0.537
0.069
345
0.695
0.081
343.25
0.713
0.155
336.95
0.769
0.33
333.7
0.813
0.443
332.6
0.829
0.526
332
0.841
0.642
331.7
0.855
0.761
330.5
0.886
0.912
330
0.921
0.944
329.95
0.951
0.981
329.85
0.984

0
0
0.05
0.706
0.1
0.816
0.15
0.844
0.2
0.859
0.25
0.871
0.3
0.878
0.35
0.882
0.4
0.885
0.45
0.888
0.5
0.892
0.55
0.897
0.6
0.901
0.65
0.907
0.7
0.913
0.75
0.92
0.8
0.929
0.85
0.939
0.9
0.953
0.95
0.972
1
1
0
0
1
1
5630
18330
26680
31020
33740
35410
36580
37380
37980
38530
39090
39730
40340
40980
41650
42330
43050
43820
44690
45610
46540
5630
46540
Pressure (Bar)
0.0563
0.1833
0.2668
0.3102
0.3374
0.3541
0.3658
0.3738
0.3798
0.3853
0.3909
0.3973
0.4034
0.4098
0.4165
0.4233
0.4305
0.4382
0.4469
0.4561
0.4654
0.0563
0.4654
Temperature (K)
T-x-y Data Vs SRK

Acetone Water
400
350
300
250
200
150
100
50
0
VLE-110 L
VLE-110 V
L SRK
V SRK
0
0.2
0.4
0.6
0.8
P-x-y Data Vs SRK

Acetone Water
Pressure (Bar)
2
1.5
VLE-083 L
VLE-083 V
0.5
V SRK
L SRK
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID
MOLEFRACMOLEFRAC
C3H6O-01 C3H6O-01
K
375.59
0
0
0
131.8778
190.8266
230.0712
257.8432
277.8281
292.1536
302.3152
309.4771
314.5203
318.0767
320.5864
322.3532
323.5887
324.4394
325.0131
325.387
325.6184
325.7492
325.8117
325.8308
325.8259
325.8159
325.8046
325.8077
325.8337
325.8888
325.9787
326.1081
326.2813
326.4973
326.7707
327.0997
327.4884
327.9407
328.4632
329.0553
329.7182
0
0
0
0
1
1
0.999864
0.997745
0.988294
0.966927
0.93445
0.895487
0.854906
0.816092
0.780888
0.750073
0.723804
0.701929
0.684154
0.670116
0.659569
0.652168
0.647665
0.645856
0.646578
0.649723
0.655172
0.662886
0.672843
0.685047
0.699535
0.716371
0.735648
0.757484
0.782046
0.809515
0.84012
0.874128
0.911858
0.953672
1
0
0
0
0
0.1
0.125
0.15
0.175
0.2
0.225
0.25
0.275
0.3
0.325
0.35
0.375
0.4
0.425
0.45
0.475
0.5
0.525
0.55
0.575
0.6
0.625
0.65
0.675
0.7
0.725
0.75
0.775
0.8
0.825
0.85
0.875
0.9
0.925
0.95
0.975
1
TOTAL
PRES
bar
0.043366
0
0
0
0
20.99644
6.201813
3.406787
2.200691
1.567438
1.20018
0.972843
0.825466
0.726705
0.658983
0.611871
0.578878
0.555796
0.539794
0.528907
0.52173
0.517231
0.514636
0.513349
0.512905
0.512934
0.51321
0.513307
0.513091
0.512548
0.511383
0.50953
0.506891
0.503382
0.498936
0.493492
0.487004
0.479431
0.470742
0.460912
0.449961
VAPOR LIQUID
MOLEFRACMOLEFRAC
C3H6O-01 C3H6O-01
0
0
0
0
0
0.994621
0.989475
0.979146
0.964916
0.946401
0.923961
0.898441
0.870978
0.842792
0.815013
0.788576
0.764174
0.742277
0.723159
0.706948
0.693667
0.683276
0.675697
0.670839
0.668607
0.668919
0.671705
0.676926
0.684575
0.694596
0.707081
0.722073
0.739665
0.759988
0.783214
0.809558
0.839292
0.872747
0.910332
0.952546
1
0
0
0
0
0
0.125
0.15
0.175
0.2
0.225
0.25
0.275
0.3
0.325
0.35
0.375
0.4
0.425
0.45
0.475
0.5
0.525
0.55
0.575
0.6
0.625
0.65
0.675
0.7
0.725
0.75
0.775
0.8
0.825
0.85
0.875
0.9
0.925
0.95
0.975
1
T-x-y Data Vs COSMO

Acetone Water
Temperature (K)
380
370
360
VLE-110 L
350
VLE-110 V
340
COSMO V
330
COSMO L
320
0
0.2
0.4
0.6
0.8
P-x-y Data Vs COSMO

Acetone Water
Pressure (Bar)
0.5
0.4
0.3
VLE-083 L
0.2
VLE-083 V
COSMO L
0.1
COSMO V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C3H6O-01 C3H6O-01
C3H6O-01 C3H6O-01
K
bar
373.1677
0
0 0.056307
0
0
363.1903 0.322786
0.025 0.099563 0.447322
0.025
357.7222 0.462234
0.05 0.130141 0.585538
0.05
354.1868 0.540802
0.075 0.153666 0.655348
0.075
351.6331 0.592672
0.1 0.173052 0.699255
0.1
349.6407 0.630626
0.125 0.189842 0.73053
0.125
348.0003 0.660391
0.15 0.204891 0.754599
0.15
346.6004 0.684822
0.175 0.218686 0.77408
0.175
345.3684 0.705673
0.2 0.231522 0.790401
0.2
344.2659 0.723846
0.225 0.24358 0.804414
0.225
343.2657 0.739971
0.25 0.25494 0.816668
0.25
342.3489 0.754475
0.275 0.265776 0.827536
0.275
341.502 0.767664
0.3 0.276106 0.83729
0.3
340.7146 0.779764
0.325 0.285979 0.846128
0.325
339.9789 0.79095
0.35 0.295437 0.854207
0.35
339.2885 0.801357
0.375 0.304516 0.861649
0.375
338.6417 0.811055
0.4 0.313247 0.868552
0.4
338.0277 0.820219
0.425 0.321657 0.874997
0.425
337.4458 0.828888
0.45 0.329773 0.881052
0.45
336.8928 0.837126
0.475 0.337617 0.886773
0.475
336.3661 0.844993
0.5 0.34521 0.892209
0.5
335.8633 0.852538
0.525 0.352573 0.897403
0.525
335.3824 0.859806
0.55 0.359721 0.90239
0.55
334.9214 0.866838
0.575 0.366672 0.907205
0.575
334.4789 0.873672
0.6 0.373441 0.911876
0.6
334.0534 0.880342
0.625 0.38004 0.916432
0.625
333.6436 0.886884
0.65 0.386484 0.920899
0.65
333.2486 0.893329
0.675 0.392782 0.925302
0.675
332.8672 0.899712
0.7 0.398946 0.929665
0.7
332.4987 0.906067
0.725 0.404986 0.934016
0.725
332.1424 0.912434
0.75 0.41091 0.938381
0.75
331.7977 0.918854
0.775 0.416726 0.942793
0.775
331.4642 0.925378
0.8 0.422442 0.947286
0.8
331.1415 0.932067
0.825 0.428065 0.951905
0.825
330.8296
0.939
0.85
0.4336 0.956707
0.85
330.5251 0.946295
0.875 0.439052 0.961767
0.875
330.2364 0.954076
0.9 0.444423 0.967195
0.9
329.9612 0.962596
0.925 0.449713 0.973164
0.925
329.7027 0.972269
0.95 0.454911 0.979977
0.95
329.4691 0.983938
0.975 0.459982 0.988272
0.975
329.2866
1
1 0.464783
1
1
Temperature (K)

Acetone Water
400
350
300
250
200
150
100
50
0
VLE-110 L
VLE-110 V
PEN-ROB L
PEN-ROB V
0
0.2
0.4
0.6
0.8

Acetone Water
Pressure (Bar)
0.5
0.4
0.3
VLE-083 L
0.2
VLE-083 V
PEN-ROB L
0.1
PEN ROB V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR
LIQUID TOTAL
VAPOR LIQUID
MOLEFRACMOLEFRAC
C3H6O-01 C3H6O-01
C3H6O-01 C3H6O-01
K
bar
375.048
0
0 0.047122
0
0
120
1
0.025 100000 0.047639
0.025
120
1
0.05 100000 0.092358
0.05
120
1
0.075 100000 0.134523
0.075
142.4928
1
0.1 100000 0.174438
0.1
197.0132 0.9999979
0.125 100000 0.212356
0.125
234.1319 0.999741
0.15 100000 0.248489
0.15
260.6041 0.9967466
0.175 100000 0.283018
0.175
279.7241 0.9852571
0.2 100000 0.316097
0.2
293.4377 0.9613676
0.225 100000 0.34786
0.225
303.1728 0.9267658
0.25 100000 0.378421
0.25
310.0409 0.886405
0.275 100000 0.407882
0.275
314.8828 0.8450471
0.3 100000 0.436329
0.3
318.3001 0.8058646
0.325 100000 0.463841
0.325
320.712 0.7705282
0.35 100000 0.490486
0.35
322.4113 0.7396976
0.375 100000 0.516326
0.375
323.5932 0.7134807
0.4 100000 0.541415
0.4
324.4064 0.691673
0.425 100000 0.565802
0.425
324.9525 0.6739674
0.45 100000 0.589532
0.45
325.3062 0.6600028
0.475 100000 0.612646
0.475
325.5227 0.6495081
0.5 100000 0.635178
0.5
325.6434 0.6421522
0.525 100000 0.657163
0.525
325.6997 0.6376899
0.55 100000 0.678631
0.55
325.7161 0.6359202
0.575 100000 0.699609
0.575
325.7165 0.6367013
0.6 100000 0.720122
0.6
325.7047 0.6398823
0.625 100000 0.740195
0.625
325.7004 0.6453972
0.65 100000 0.759848
0.65
325.7141 0.6532007
0.675 100000 0.779103
0.675
325.7527 0.6632714
0.7 100000 0.797976
0.7
325.8238 0.6756304
0.725 100000 0.816486
0.725
325.9328 0.6903224
0.75 100000 0.834648
0.75
326.0846 0.7074242
0.775 100000 0.852478
0.775
326.2838 0.7270437
0.8 100000 0.869988
0.8
326.5299 0.7493155
0.825 100000 0.887189
0.825
326.838 0.7744295
0.85 100000 0.904101
0.85
327.2064 0.8025927
0.875 100000 0.920731
0.875
327.6399 0.8340625
0.9 100000 0.93709
0.9
328.1423 0.869143
0.925 100000 0.953187
0.925
328.7186
0.9082
0.95 100000 0.969031
0.95
329.3739 0.9516528
0.975 100000 0.984633
0.975
330.1129
1
1 0.447856
1
1
T-x-y Data Vs Ideal

Acetone Water
390
Temperature (K)
380
370
360
VLE-110 L
350
VLE-110 V
340
IDEAL L
330
IDEAL V
320
0
0.2
0.4
0.6
0.8
P-x-y Experimental Ideal

Acetone Water
Pressure (Bar)
0.5
0.4
0.3
VLE-083 L
0.2
VLE-083 V
IDEAL L
0.1
IDEAL V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C3H6O-01 C3H6O-01
C3H6O-01 C3H6O-01
K
bar
373.1677
0
0 0.056307
0
0
371.3136 0.087724
0.025 0.066515 0.17469
0.025
369.512 0.167342
0.05 0.076727 0.30288
0.05
367.7627 0.239626
0.075 0.086939 0.400955
0.075
366.0654 0.305286
0.1 0.097151 0.478412
0.1
364.4194 0.364965
0.125 0.107363 0.541134
0.125
362.8238 0.419252
0.15 0.117575 0.59296
0.15
361.2775 0.468676
0.175 0.127787 0.636504
0.175
359.7793 0.513716
0.2 0.137999 0.673602
0.2
358.3279 0.554804
0.225 0.148211 0.705589
0.225
356.922 0.592329
0.25 0.158423 0.733452
0.25
355.56 0.626639
0.275 0.168635 0.75794
0.275
354.2405 0.658048
0.3 0.178847 0.779632
0.3
352.9619 0.686836
0.325 0.189059 0.79898
0.325
351.7228 0.713256
0.35 0.199271 0.816345
0.35
350.5218 0.737532
0.375 0.209483 0.832017
0.375
349.3572 0.759866
0.4 0.219695 0.846233
0.4
348.2277 0.780441
0.425 0.229907 0.859185
0.425
347.1319 0.799419
0.45 0.240119 0.871036
0.45
346.0685 0.816945
0.475 0.250331 0.88192
0.475
345.0361 0.833151
0.5 0.260543 0.89195
0.5
344.0334 0.848154
0.525 0.270755 0.901224
0.525
343.0592 0.862061
0.55 0.280967 0.909824
0.55
342.1125 0.874966
0.575 0.291179 0.917821
0.575
341.1919 0.886956
0.6 0.301443 0.925276
0.6
340.2966 0.898107
0.625 0.311655 0.932242
0.625
339.4254 0.908491
0.65 0.321867 0.938766
0.65
338.5773 0.91817
0.675 0.332079 0.944888
0.675
337.7515 0.927201
0.7 0.342291 0.950646
0.7
336.947 0.935637
0.725 0.352503 0.956069
0.725
336.163 0.943525
0.75 0.362715 0.961188
0.75
335.3986 0.950907
0.775 0.372927 0.966026
0.775
334.6532 0.957822
0.8 0.383139 0.970606
0.8
333.9259 0.964305
0.825 0.393351 0.974948
0.825
333.2161 0.97039
0.85 0.403563 0.97907
0.85
332.5231 0.976105
0.875 0.413775 0.982989
0.875
331.8462 0.981477
0.9 0.423987 0.986719
0.9
331.1849 0.986531
0.925 0.434199 0.990274
0.925
330.5385 0.991289
0.95 0.444411 0.993665
0.95
329.9066 0.995773
0.975 0.454622 0.996904
0.975
329.2866
1
1 0.464783
1
1

Acetone Water
390
Temperature (K)
380
370
360
VLE-110 L
350
VLE-110 V
340
VAN LAAR L
330
VAN LAAR V
320
0
0.2
0.4
0.6
0.8

Acetone Water
Pressure (Bar)
0.5
0.4
0.3
VLE-083 L
0.2
VLE-083 V
VAN LAAR L
0.1
VAN LAAR V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C3H6O-01 C3H6O-01
C3H6O-01 C3H6O-01
K
bar
373.3682
0
0 0.056271
0
0
371.6613 0.082458
0.025 0.066312 0.172688
0.025
369.9869 0.158231
0.05 0.076357 0.299947
0.05
368.347 0.227803
0.075 0.086403 0.39762
0.075
366.743 0.29165
0.1 0.09645 0.474949
0.1
365.1757 0.350222
0.125 0.106498 0.53769
0.125
363.6459 0.403947
0.15 0.116546 0.589616
0.15
362.1541 0.453226
0.175 0.126595 0.633301
0.175
360.7002 0.498433
0.2 0.136644 0.670562
0.2
359.2844 0.539918
0.225 0.146695 0.70272
0.225
357.9062 0.578003
0.25 0.156745 0.730755
0.25
356.5652 0.612985
0.275 0.166797 0.755412
0.275
355.2609 0.645136
0.3 0.176849 0.777268
0.3
353.9926 0.674708
0.325 0.186902 0.796773
0.325
352.7594 0.701927
0.35 0.196955 0.814288
0.35
351.5605 0.727002
0.375 0.207009 0.830103
0.375
350.395 0.750123
0.4 0.217064 0.844452
0.4
349.262 0.77146
0.425 0.22712 0.857532
0.425
348.1604 0.791171
0.45 0.237176 0.869504
0.45
347.0892 0.809397
0.475 0.247232 0.880501
0.475
346.0476 0.826266
0.5 0.25729 0.89064
0.5
345.0344 0.841896
0.525 0.267348 0.900016
0.525
344.0487 0.856391
0.55 0.277407 0.908712
0.55
343.0895 0.869848
0.575 0.28751 0.916798
0.575
342.1559 0.882353
0.6 0.297569 0.92434
0.6
341.2469 0.893985
0.625 0.30763 0.931388
0.625
340.3617 0.904815
0.65 0.317691 0.93799
0.65
339.4994 0.914909
0.675 0.327752 0.944187
0.675
338.6592 0.924326
0.7 0.337814 0.950015
0.7
337.8401 0.933119
0.725 0.347877 0.955505
0.725
337.0415 0.941337
0.75 0.357941 0.960687
0.75
336.2626 0.949024
0.775 0.368005 0.965586
0.775
335.5027 0.956221
0.8 0.37807 0.970224
0.8
334.761 0.962966
0.825 0.388136 0.974622
0.825
334.037 0.969291
0.85 0.398202 0.978797
0.85
333.3299 0.975228
0.875 0.408269 0.982766
0.875
332.6391 0.980805
0.9 0.418336 0.986545
0.9
331.9641 0.986048
0.925 0.428404 0.990146
0.925
331.3043 0.990981
0.95 0.438473 0.993581
0.95
330.6591 0.995625
0.975 0.448543 0.996863
0.975
330.0256
1
1 0.458575
1
1

Acetone Water
390
Temperature (K)
380
370
360
VLE-110 L
350
VLE-110 V
340
WILISON L
330
WILISON V
320
0
0.2
0.4
0.6
0.8

Acetone Water
Pressure (Bar)
0.5
0.4
0.3
VLE-083 L
0.2
VLE-083 V
WILISON L
0.1
WILISON V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C3H6O-01 C3H6O-01
C3H6O-01 C3H6O-01
K
bar
373.1677
0
0 0.056307
0
0
358.0183 0.445685
0.025 0.125818 0.56281
0.025
349.7838 0.610321
0.05 0.176615 0.694852
0.05
344.7683 0.690192
0.075 0.214722 0.753506
0.075
341.4549 0.73593
0.1 0.243973 0.786544
0.1
339.1367 0.765082
0.125 0.266893 0.807714
0.125
337.445 0.785086
0.15 0.285195 0.822447
0.15
336.1699 0.799575
0.175 0.300065 0.83332
0.175
335.1837 0.810512
0.2 0.312348 0.841712
0.2
334.4044 0.819044
0.225 0.322657 0.848427
0.225
333.7774 0.825886
0.25 0.33144 0.853967
0.25
333.2648
0.8315
0.275 0.339037 0.858661
0.275
332.8395 0.836203
0.3 0.345704 0.862732
0.3
332.4819 0.840218
0.325 0.351638 0.866341
0.325
332.1774 0.843706
0.35 0.356994 0.869606
0.35
331.9148 0.846786
0.375 0.361894 0.872614
0.375
331.6873 0.849521
0.4 0.366436 0.875436
0.4
331.4843 0.85205
0.425 0.370698 0.878127
0.425
331.3025 0.854396
0.45 0.37468 0.880732
0.45
331.1378 0.856607
0.475 0.378569 0.88329
0.475
330.9865 0.858726
0.5 0.38234 0.885837
0.5
330.8458 0.860791
0.525 0.386031 0.888403
0.525
330.7134 0.862837
0.55 0.389674 0.891018
0.55
330.587
0.8649
0.575 0.393297 0.893711
0.575
330.4652 0.867013
0.6 0.396924 0.896511
0.6
330.3463 0.869216
0.625 0.400577 0.899449
0.625
330.2293 0.871548
0.65 0.404272 0.902557
0.65
330.113 0.874057
0.675 0.408028 0.90587
0.675
329.9988 0.876767
0.7 0.411858 0.909428
0.7
329.882 0.879804
0.725 0.415775 0.913275
0.725
329.7642 0.883224
0.75 0.419789 0.917462
0.75
329.6455 0.887132
0.775 0.423909 0.922049
0.775
329.5264 0.891662
0.8 0.428139 0.927107
0.8
329.4083 0.896994
0.825 0.432482 0.932719
0.825
329.2935 0.903368
0.85 0.436935 0.938987
0.85
329.1862 0.911118
0.875 0.441491 0.946036
0.875
329.0936 0.920718
0.9 0.446134 0.954019
0.9
329.0261 0.932886
0.925 0.450836 0.963126
0.925
329.0068 0.94868
0.95 0.455557 0.973602
0.95
329.0697 0.969938
0.975 0.460235 0.985758
0.975
329.2866
1
1 0.464783
1
1
T-x-y Data Vs NTLR

Acetone Water
390
Temperature (K)
380
370
360
VLE-110 L
350
VLE-110 V
340
NTLR L
330
NTLR V
320
0
0.2
0.4
0.6
0.8
P-x-y Data Vs NTLR

Acetone Water
Pressure (Bar)
0.5
0.4
0.3
VLE-083 L
0.2
VLE-083 V
NTRL L
0.1
NTRL V
0
0
0.2
0.4
0.6
0.8
TOTAL
TEMP
VAPOR LIQUID TOTAL

VAPOR LIQUID
MOLEFRACMOLEFRAC
C3H6O-01 C3H6O-01
C3H6O-01 C3H6O-01
K
bar
373.1677
0
0 0.056307
0
0
357.7338 0.45201
0.025 0.121423 0.547181
0.025
349.3677 0.61738
0.05
0.172 0.687114
0.05
344.2546 0.697518
0.075 0.211484 0.750393
0.075
340.8814 0.743188
0.1 0.24246 0.786032
0.1
338.544 0.771963
0.125 0.266884 0.808632
0.125
336.8705 0.791333
0.15 0.286248 0.824078
0.15
335.6453 0.804983
0.175 0.301696 0.835201
0.175
334.734 0.814925
0.2 0.314109 0.843532
0.2
334.0485 0.822344
0.225 0.32417 0.849977
0.225
333.5285 0.827985
0.25 0.332413 0.855106
0.25
333.1311 0.832341
0.275 0.339254 0.859296
0.275
332.8255 0.835751
0.3 0.345022 0.862811
0.3
332.5884 0.838459
0.325 0.349976 0.865839
0.325
332.4042 0.840614
0.35 0.354321 0.868521
0.35
332.2551 0.842426
0.375 0.358221 0.870965
0.375
332.133 0.843969
0.4 0.361805 0.873256
0.4
332.0294 0.845331
0.425 0.365179 0.875464
0.425
331.9377 0.846592
0.45 0.368426 0.877645
0.45
331.8527 0.847819
0.475 0.371549 0.87985
0.475
331.7702 0.849073
0.5 0.374733 0.882121
0.5
331.6867 0.850413
0.525 0.377954 0.884498
0.525
331.5996 0.851896
0.55 0.381247 0.887016
0.55
331.5069 0.853576
0.575 0.384639 0.88971
0.575
331.4093 0.855479
0.6 0.388152 0.892613
0.6
331.3013 0.857726
0.625 0.391802 0.895756
0.625
331.1843 0.860353
0.65 0.395604 0.899173
0.65
331.0578 0.86343
0.675 0.399566 0.902899
0.675
330.9221 0.867031
0.7 0.403694 0.906966
0.7
330.7775 0.871241
0.725 0.407992 0.911414
0.725
330.6249 0.876152
0.75 0.412461 0.91628
0.75
330.4657 0.881871
0.775 0.417099 0.921609
0.775
330.3018 0.88852
0.8 0.421902 0.927446
0.8
330.1353 0.896239
0.825 0.426863 0.933842
0.825
329.9695 0.905194
0.85 0.431973 0.940854
0.85
329.806 0.915604
0.875 0.437218 0.948545
0.875
329.6541 0.927659
0.9 0.442583 0.956985
0.9
329.5173 0.941686
0.925 0.448048 0.966254
0.925
329.4033 0.958062
0.95 0.453589 0.976442
0.95
329.3217 0.97728
0.975 0.459179 0.987651
0.975
329.2866
1
1 0.464783
1
1

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Property methods Analysis

. X is guessed using the y, P, Psat and gamma.

SRK Isotherms of Glyoxal

point was compared.

Fig 1. SRK isotherms of glyoxal

sourounding points the

SRK VS Ideal Gas

match then the COSMO.

glyoxal and that pengRobonson was designed

Considering the nature of

imporoving accuercy near

the critical point as well as

T-x-y and P-x-y Graph Analyses

T-x-y Data Vs Ideal & NRTL

has ideal gas properties is due to the

both components boiling points and the

relatively high temperature in relation to

Mole Fraction Benzene

brought down significantly but also the

Fig. 3 T-x-y experimental data

P-x-y Data Vs Wilson

predict the T-x-y or P-x-y

show in this case. The

coefficient models really

predicting the nature of the

Mole Fraction Benzene

methanol and benzene

Due to this equations of state rely

T-x-y Data Vs NRTL

Mole Fraction Benzene

Fig. 5 T-x-y of experimental data and

A: Visual basic coding

' Dim variables as needed

'Input varaibles on Spreadsheet

'Set tolerance and max number of equations

alpha(i) = (1 + (0.48508 + 1.55171 * omega - 0.15613 * omega ^ 2) * (1 - (T(i) / Tc) ^ 0.5)) ^ 2

Psatg = (Limits(1) + Limits(0)) / 2

'bubble sorting the roots

'integral calculation in order to find psat

If Intgl <> 0 Then

If Intgl < 0 Then

'Isotherms below the critical point

'critical point isotherm

ElseIf vcalc >= vl(i) And vcalc <= vh(i) Then

If vcalc < vl(i) Or vcalc > vh(i) Then

ElseIf vcalc >= vl(i) And vcalc <= vh(i) Then

'Shows isotherm temp

If FirstDerivative(0) < 0 Then

ElseIf FirstDerivative(0) > 0 Then

While test >= 0

Function QBRT(x As Double) As Double

' Signed cube root function. Used by Qubic procedure.

QBRT = Abs(x) ^ (1 / 3) * Sgn(x)

' Q U B I C - Solves a cubic equation of the form:

' Closed form employing trigonometric and Cardano's method

' Note: To translate and equation of the form:

' O'y^3 + P'y^2 + Q'y + R' = 0 into the form above,

'Dim variables as neccesary

Const DEG120 = 2.09439510239319

' Translate into the form Z^3 + aZ + b = 0

If DISCR > 0 Then

If Abs(RATIO) < Tolerance Then

'Three real unequal roots. Solve using trigonometric method.