Name: Shivam Maheshchandra Patel

Student id # 300210268
Assignment-3
CHG8132

For Extended Langmuir isotherm

  A B
b 0.0208 0.0454
q0 0.8135 0.3179

This Values are calculated from pure component data.

Y1 P1 Y2 P2 qa qb qtot XA
0 0 1 100 0.26051 0.26051
0.1 10 0.9 90 0 7 7 0
0.03196 0.24536 0.27732 0.11525
0.2 20 0.8 80
2 1 3 3
0.3 30 0.7 70
0.22872 0.29576 0.22666
0.4 40 0.6 60
0.06704 7 6 4
0.5 50 0.5 50
0.10571 0.21038 0.33442
0.6 60 0.4 40 1 9 0.3161 3
0.7 70 0.3 30 0.14855 0.33862 0.43870
0.8 80 0.2 20 8 0.19007 9 6
0.9 90 0.1 10 0.19629 0.16743 0.36372 0.53967
1 100 0 0 7 2 9 9
0.24981 0.14205 0.39186 0.63749
5 4 9 7
First, we assume the value of Y1 for
0.31022 0.11340 0.42363 0.73230
component A
9 5 4 5
After using equation for Pi= Yi X Total 0.37896 0.45977
5 0.08081 5 0.82424
Total = 100 kPa 0.45786 0.04339 0.50126 0.91343
9 3 2 2
P1=10 for Y1(0.1)
0.54937 0.54937
Y2 = 1-Y1 7 0 7 1

Like wise for component B calculated values are shown in above table.

q B1 × P1
General Langmuir eqation: = For Component A
q0 1+B 1 × P1 + B2 × P2

By using this equation, we get values of q

q 0.8135 ×20
=
0.8135 1+ 0.8135× 20+0.3179 ×80 ¿
¿
q= 0.031962 mmol/g at Y1=0.2

like wise for all other points values are shown in table

and for component B calculated values are shown in table

q B2 × P2
=
q0 1+B 1 × P1 + B2 × P2
This equation is for component B

total=q1+q2

so total =0.06704+0.228727

total = 0.295766 mmol/g

mole fraction X1 = q1/q2

X1=0.226644

Ya Vs Xa
1.2

0.8

0.6

0.4

0.2

0
0 0.2 0.4 0.6 0.8 1 1.2

ELM 45
 qA,qB,qtotal Vs Ya
0.6

0.5

0.4

0.3

0.2

0.1

0
0 0.2 0.4 0.6 0.8 1 1.2

qa qb qtotal

For Ideal absorption solution theory (IAST)

  A B
b 0.0208 0.0454
Q0 0.8135 0.3179

This Values are calculated from pure component data.

First, we assume the value of Y1 for component A

General IAST equation after integration.

Assumption: Langmuir isotherm is perfect curve

q 01 ln ( 1+B P01 ) =q 02 ln ( 1+B P02 )

0 PY1
P1=
X1

X1+X2=1

PY2
P02= for component B
X2

After putting this value in general equation

0
q 1 ln ( 1+XBP1 Y )=q ln ( 1+BP
1 0
2
X2 )
Y 2

After doing trial and error method we get Values of X

Final values are shown in below table, whereas trial and error data shown in attached excel sheet.

After finding values of X1 we get values of X2 by X1+X2=1 from this equation

Y1 Y2 X1
0 1 0
0.1 0.9 0.1144
0.2 0.8 0.22578
0.3 0.7 0.33578
0.4 0.6 0.43762
0.5 0.5 0.54776
0.6 0.4 0.65141
0.7 0.3 0.749178
0.8 0.2 0.84147
0.9 0.1 0.92652
1 0 1

0 0
X2 P1 P2 qt qa qb
1 #DIV/0! 100 0.3179 0 0.3179
87.4125 0.34171 0.03909 0.30262
0.8856 9 101.626 6 2 3
88.5818 103.329 0.36860 0.08322 0.28537
0.77422 1 8 1 3 8
89.3442 105.386 0.39965 0.13419 0.26545
0.66422 1 8 5 6 9
106.689 0.43346 0.18969 0.24377
0.56238 91.4035 4 4 3 2
91.2808 110.560 0.47711 0.26134 0.21577
0.45224 5 8 7 5 1
92.1078 0.52706 0.34333 0.18373
0.34859 9 114.748 8 7 1
0.25082 93.4357 119.606 0.43813 0.14668
2 4 7 0.58482 4 6
95.0717 126.159 0.54888 0.10340
0.15853 2 1 0.65229 2 7
97.1376 136.091 0.72988 0.67625 0.05363
0.07348 8 5 8 6 2
0 100 #DIV/0! 0.8135 0.8135 0

0 0 0 PY1
Once we calculated values of x1 we get values of P1 and P2 using this P1= equation
X1
 100 X 0.3
P01=
0.33578

0
P1=88.5818 at (Y1= 0.3)

0
similarly, for other values and P2 data shown in above table.

q 1=q total × X1 for component A

qtotal=q1+q2

from this we find values of q2 for component B calculated values are shown in above table.

Ya VS Xa
1.2

0.8

0.6

0.4

0.2

0
0 0.2 0.4 0.6 0.8 1 1.2

IAST 45

qA,qB,qtotal Vs Ya

0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0
0 0.2 0.4 0.6 0.8 1 1.2

qA qB qTotal
For vacancy solution theory (VST)
  A B
b 0.017914 0.016188
n∞ 0.782478 0.602241
α 0.00999 2.003837
Total 100
This Values are calculated from pure component data

First assume values of X1.

s nt
x v =1− ∞
nt

s nt × x 1
x 1= ∞
for component A
nt

n
First, we have to calculate n =∑ x i × ni
∞
t
i

=0.3x0.782478 + 0.7 x 0.602241

∞
nt =0.656312
∞
By using this equation, we find values of nt which shown in table.

X1 X2 nt ∞
0.60224
0 1 1
 0.62026
0.1 0.9 5
0.63828
0.2 0.8 8
0.65631
0.3 0.7 2
0.67433
0.4 0.6 6
0.5 0.5 0.69236
0.71038
0.6 0.4 3
0.72840
0.7 0.3 7
0.74643
0.8 0.2 1
0.76445
0.9 0.1 4
0.78247
1 0 8

∞
After nt calulation next we have to find values of gamma for component A, B and vacancy.

General equation after simpilify for gamma coefficient using huggins eqation

For binary components after simpilify eqation we get three different eqation for component A, B and Vacancy

This eqations provides values of ntotal calculated values are shown at below table.

γ1(A gamma) γ2(B gamma) Γv (Vacancy gamma) Ntotal

 0.835324791 0.626273 0.833352389 0.2875
0.842759712 0.634093 0.840846741 0.3165
0.861730695 0.643586 0.859979153 0.3302
0.8808578 0.653627 0.879284026 0.3456
0.899390546 0.664483 0.898004491 0.3651
0.919197825 0.676219 0.918030783 0.3845
0.940236528 0.688602 0.939325346 0.4015
0.958076874 0.704101 0.957404213 0.4358
0.976789353 0.720637 0.976392617 0.465
0.992235697 0.740271 0.992093106 0.5015
0.999976521 0.763668 0.999976052 0.54459

αij= (-0.66376) from using above eqation.

For calculation of Y1 values, using aboves eqation we get

Y1 =0.06391 at X1=0.2
s
after putting values of x v and gamma for component A

Y1 Y2 n1 n2
0 1 0 0.2875
0.02894 0.97105 0.0316 0.2848
9 1 5 5
0.0660 0.2641
0.06391 0.93609 4 6
0.10603 0.89396 0.1036 0.2419
8 2 8 2
0.15886 0.84113 0.1460 0.2190
4 6 4 6
0.22139 0.77860 0.1922 0.1922
3 7 5 5
0.29035 0.70964
9 1 0.2409 0.1606
0.40477 0.59522 0.3050 0.1307
8 2 6 4
 0.53457 0.46542
1 9 0.372 0.093
0.72146 0.27853 0.4513 0.0501
6 4 5 5
0.99999 0.5445
6 0 9 0
Y1+Y2=1
And n1= X1 x nT
N1= 0.4 x 0.3456 at (x1=0.4)
N 1 =0.10368
x s1 x s2 x sv
0 0.477384 0.522616
0.051027 0.459239 0.489734
0.103464 0.413857 0.482679
0.157974 0.368605 0.473421
0.216569 0.324853 0.458578
0.277674 0.277674 0.444653
0.339113 0.226075 0.434812
0.418804 0.179488 0.401708
0.498372 0.124593 0.377035
0.590421 0.065602 0.343976
0.695981 0 0.304019

s s s
x 1+ x2 + x v =1
After using above eqaion get values of x solid at component A.B. and vacancy. Calculated values are
shown in above table.

1.2
YA Vs XA
1

0.8

0.6

0.4

0.2

0
0 0.2 0.4 VST0.6 45 0.8 1 1.2
Compariosn of all three Models
 YA Vs XA
1.2

0.8

0.6

0.4

0.2

0
0 0.2 0.4 0.6 0.8 1 1.2

ELM IAST VST 45

From above graph its evident that VST model gives more separation
compare to IAST and ELM.
On the other hand IAST and ELM are same in terms of separation .