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Submitted To:
Sir Zeeshan Zaki
Sir Owais Iqbal
Assignment #4
UNIQUAC Portion
Q: Calculate the activity coefficients of a mixture of 40 mol% Ethanol 60 mol% Ethane at 2 barg
and 62C.
Solution:
Activity Coefficient
ETHANE
= 2 x CH3 Groups
So its calculated values are
ri value from table = 2 x 0.9011 = 1.8022
qi value from table = 2 x 0.848 = 1.696
ETHANOL
= 1 x CH3 + 1 x CH2 +1 x OH Groups
ETHANE
(
ETHANOL
(
Components
qi
ri
xi
xi q i
xi ri
li
Ethane
1.6958
1.8020
0.6
1.0175
1.0812
0.5120
0.4956
-0.271
Ethanol
2.588
2.5755
0.4
1.0352
1.0302
0.4879
0.5043
-1.638
2.0527
2.1114
Sum
ETHANE
(
ETHANOL
(
Component
s
Ethane
Ethanol
1.695
8
2.588
1.8020
2.5755
-0.271
0.6
0.5120
0.4956
-1.638
0.4
0.4879
0.5043
Sum
xj lj
ln C
0.1626
0.6552
0.8178
0.007787
0.014034
Compound
Ethane
Ethanol
Mol.
Frac.
Group
0.6
0.4
CH3
CH3
CH2
OH
Mai
n
No.
1
1
1
5
Sec
No.
1
1
2
14
Quantit
y ni
Total
2
1
1
1
2
3
Group Values
R
0.9011
0.9011
0.6744
1.000
0.848
0.848
0.540
1.200
Group Fractions
Pure Component
Copmound
Ethane
Ethanol
XCH3
2/2=1
= 1/3
XCH2
0/2=0
= 1/3
Mixture
XOH
0/2=0
= 1/3
Mixture XCH3
= [(0.6 x 2) + (0.4 x 1)]/ [(0.6 x2) + (0.4 x 3)]
= 0.6667
Mixture XCH2
= [(0.6 x 0) + (0.4 x 1)]/ [(0.6 x2) + (0.4 x 3)]
= 0.16667
Prepared By: SYED SAAD AHMED (B.E Final Year)
XCH3
XCH2
XOH
0.6667
0.16667
0.16667
Mixture XOH
= [(0.6 x 0) + (0.4 x 1)]/ [(0.6 x2) + (0.4 x 3)]
= 0.16667
n
CH3
CH2
OH
1
CH2
0
0
156.4
5
OH
986.5
986.5
0
mn
CH3
CH2
OH
1
CH3
0
0
156.4
CH3
1
1
0.605
CH2
1
1
0.605
OH
0.042
0.042
1
Segment Fractions
Pure Component
Copmound (i)
qm
Xm
Ethane (1)
CH3
0.848
Sum
Ethanol (2)
qm x Xm
(i)
0.848
0.848
CH3
0.848
0.333
0.2824
0.3277
CH2
0.540
0.333
0.1798
0.2086
OH
1.200
0.333
0.3996
0.4637
0.8618
Sum
Mixture
Solution of
Groups
qm
Xm
qm x Xm
CH3
0.848
0.6667
0.56536
0.66096
CH2
0.540
0.16667
0.0900
0.10522
OH
1.200
0.16667
0.2000
0.23382
0.85536
Sum
m
{Ethane)
m
(Ethanol)
m
CH3
0.3277
0.66096
CH2
0.2086
0.10522
OH
0.4637
0.23382
ETHANE
m
ln
ETHANE
CH 3
{Ethane)
m
CH3
CH2
OH
1 ln 1 1 0 1 0 0.605
0.848
1 1
0 1
0 0.042
1 1 0 1 0 0.605 1 1 0 1 0 0.605 1 0.042 0 0.042 0 1
0.848 1 ln 1 1
0
There is no CH2 and OH in pure ethane so we can ignore it.
ETHANOL
m
ETHANOL
ln CH
3
(Ethanol)
m
CH3
0.3277
CH2
0.2086
OH
0.4637
0.3277 1
0.2086 1
0.46370.042
0.3277 0.042 0.2086 0.042 0.4637 1
ETHANOL
ln CH
2
0.3277 1
0.2086 1
0.540 0.3277 1 0.2086 1 0.4637 0.605 0.3277 1 0.2086 1 0.4637 0.605
0.46370.042
0.3277 0.042 0.2086 0.042 0.4637 1
ETHANOL
ln OH
0.3277 1
0.2086 1
0.46370.042
MIXTURE
m
MIXTURE
ln CH
3
CH3
0.66096
CH2
0.10522
OH
0.23382
0.66096 1
0.66096 1 0.10522 1 0.23382 0.605
0.848
0.10522 1
0.66096 1 0.10522 1 0.23382 0.605
0.23382 0.042
=0.848*(1-ln(0.9076)-0.881064)
=0.183072
MIXTURE
ln CH
2
0.66096 1
0.66096 1 0.10522 1 0.23382 0.605
0.540
0.10522 1
0.66096 1 0.10522 1 0.23382 0.605
0
.
23382
0
.
042
=0.540*(1-ln(0.9076)-0.881064)
=0.11657
MIXTURE
ln OH
0.66096 1
0.66096 1 0.10522 1 0.23382 0.605
1.2
0.10522 1
0.66096 1 0.10522 1 0.23382 0.605
0.23382 0.042
=1.2*(1-ln (0.9076)-0.881064)
=0.25906
Group
Mixture
Ethane (1)
ni
k(1)
ni( k-
(1)
k )
ni
k(1)
ni( k- k(1))
CH3
1.2009
0.4018
1.5354
-0.3345
CH2
1.1236
1.3139
-0.1903
OH
1.2957
1.6579
-0.3622
Sum
Ethanol (2)
0.4018
-0.887
ln
ln
ln
Ethane
0.4018
-0.007787
0.394013
1.4829
Ethanol
-0.887
-0.014034
-0.901034
0.40614
10
Flash Calculations
Operating Data
Compounds= Ethane, Ethanol
62C
2 barg
Temperature
Pressure
335K
3.01325 bara
Antoine
Ethane
Ethanol
A
3.954
5.336
B
663.720
1648.220
C
256.681
230.918
These values are taken from Properties of Gases and Liquids Appendix A, Sec. D Page A.49
For Ethane
For Ethanol
11
yi i Pi SAT
Ki
xi
i P
For Ethane:
)(
( )(
)
)
For Ethanol:
(
)(
( )(
Compound
Ethane
Ethanol
)
)
i
1.4829
0.40614
Pisat
3.954
0.509
Ki
1.946
0.0686
yi
Since
zi K i
1 V K i 1
Therefore:
zi Ki
1
i 1
1 V K
i
)(
(
)
)
)(
(
)
)
Yi
0.965
0.034
Xi
0.496
0.504