Name: Shivam Maheshchandra

Student id # 300210268
Assignment-2
CHG8132

For Component A
Applicability for Langmuir- Freundlich (Sips) isotherm
Part -A
For Component, A Data as Shown in Below table

P nA n(calculated) (n-n(calculated))^2
0 0 0 0
10 0.14 0.685371479 0.29743005
20 0.24 0.742510137 0.252516437
35 0.34 0.768066577 0.183240994
44 0.39 0.775012213 0.148234404
55 0.43 0.780364633 0.122755376
61 0.46 0.782451682 0.103975088
70 0.49 0.784892964 0.08696186
85 0.52 0.787779648 0.07170594
100 0.54 0.789772777 0.06238644
SUM 1.329206589

First assume values of constent.

b= 0.5
a=0.9
n0=0.8 mmol/g
1
(B × P) a
Langmuir- Freundlich (Sips) general eqation: θ= 1
1+(B × P) a
1
nA ( B× P) a
By simplifying eqation = 1
n0
1+(B × P)a
 1
nA ( 0.5× 10) 0.9
For 10 kPa 0.8 = 1
1+(0.5 ×10) 0.9
nA(calculated) =0.68 mmol/g

by assuming constnetn we get values of n A calculated. But this does not match with original
data so that we have minimize value of (n-n(calculated)) summation to do non linear
regration for this set of value.

P nA nA(calculated) (n-n(calculated))^2
0 0 0 0
10 0.14 0.132024547 6.36079E-05
20 0.24 0.239026033 9.48612E-07
35 0.34 0.348423068 7.09481E-05
44 0.39 0.394535255 2.05685E-05
55 0.43 0.438047453 6.47615E-05
61 0.46 0.457379143 6.86889E-06
70 0.49 0.481979146 6.43341E-05
85 0.52 0.514214357 3.34737E-05
100 0.54 0.538733547 1.6039E-06
SUM 0.000327115

nA Vs P
0.6

0.5

0.4
na Vs P

0.3

0.2

0.1

0
0 20 40 60 80 100 120
P

After Regression

By Using Non Liner regression we get value for Constant b,a and n0.
b= 0.02835
a=0.8639
n0=0.7 mmol/g
1
(B × P) a
Langmuir- Freundlich (Sips) general eqation: θ= 1
a
1+(B × P)
1
nA ( B× P) a
nA
By simplifying eqation = ( where θ=¿ )
n0 1
n0
1+(B × P)a
1
nA (0.2835× 10) 0.8639
For 10 kPa =
0.7 1
0.8639
1+(0.2835 ×10)
nA(calculated) =0.1320 mmol/g

From Above Calculation and graph it is clearly define linear graph for sips eqation.which
indicates that sips model is applicable for this set of data

Part B
Graph of n Vs. P

Na Vs P
0.6

0.5

0.4
nA (mmole/g)

0.3

0.2

0.1

0
0 20 40 60 80 100 120
P (kPa)

1
a
(B × P)
Langmuir- Freundlich (Sips) general eqation: θ= 1
1+(B × P) a
 1
nA ( B× P) a
By simplifying eqation =
n0 1
1+(B × P)a
1
nA (0.2835× 51) 0.8639
For 51 kPa = 1
0.7 0.8639
1+(0.2835 ×51)
We get value of nA =0.4235 mmol/g

Likewise, for different 100 values of P (kPa)

P nA P nA P nA P nA
0 0 26 0.288842 51 0.423569 76 0.496006
1 0.011141 27 0.296281 52 0.42732 77 0.498187
2 0.024375 28 0.303496 53 0.430981 78 0.500325
3 0.038178 29 0.310497 54 0.434556 79 0.502423
4 0.05214 30 0.317291 55 0.438046 80 0.504481
5 0.066056 31 0.323886 56 0.441456 81 0.506501
6 0.079808 32 0.330289 57 0.444788 82 0.508483
7 0.093319 33 0.336509 58 0.448043 83 0.510429
8 0.106543 34 0.34255 59 0.451226 84 0.512339
9 0.11945 35 0.348421 60 0.454336 85 0.514214
10 0.132021 36 0.354127 61 0.457378 86 0.516056
11 0.144247 37 0.359675 62 0.460354 87 0.517865
12 0.156123 38 0.36507 63 0.463264 88 0.519642
13 0.167649 39 0.370318 64 0.466111 89 0.521388
14 0.178829 40 0.375425 65 0.468898 90 0.523103
15 0.189668 41 0.380395 66 0.471626 91 0.524788
16 0.200173 42 0.385233 67 0.474296 92 0.526445
17 0.210352 43 0.389945 68 0.47691 93 0.528073
18 0.220213 44 0.394534 69 0.479471 94 0.529673
19 0.229767 45 0.399005 70 0.481979 95 0.531247
20 0.239023 46 0.403361 71 0.484436 96 0.532795
21 0.24799 47 0.407608 72 0.486843 97 0.534316
22 0.256679 48 0.411749 73 0.489203 98 0.535813
23 0.2651 49 0.415787 74 0.491516 99 0.537285
24 0.27326 50 0.419726 75 0.493783 100 0.538734
25 0.281172
 0.6 nA Vs P Title
Original Calulated
0.5

0.4
nA(mmol/g)

0.3

0.2

0.1

0
0 20 40 60 80 100 120
P (kPa)

This graph clearly indicates that original data matches with different 100
pressure values for Langmuir- Freundlich (Sips) isotherm.
So, After non linear rgrassion of this set of data calculated values for
constent is almost correct by comparing with original value.
That is why Langmuir- Freundlich (Sips) model is applicable.
Applicability for Vacancy solution theory (VST).
For Component, A Data as Shown in Below table

P nA P (calculated) (P-P(calculated))^2
0 0 0 0
10 0.14 16.57920486 43.28593665
20 0.24 32.72814315 162.0056279
35 0.34 54.6449137 385.9226342
44 0.39 68.82649896 616.3550507
55 0.43 82.34434096 747.7129826
61 0.46 94.09569385 1095.324951
70 0.49 107.5668002 1411.264474
85 0.52 123.1649699 1456.564924
100 0.54 135.0080519 1225.5637
SUM 7144.000281

First assume values of constent.

Note: for this calculation n1∞=n A and b1 = b

no = 0.9 mmol/g
b = 0.01
α = 0.01
nA θ α 2 ×θ
general VST eqation : P= ×( ) ×exp ⁡( )
b (1−θ ) 1+ ( α ×θ )
nA nA
α2×
nA n0 n0 nA
P= ×( )×exp ⁡( ) ( where θ=¿ )
( ) ( )
b nA nA n0
1− 1+ α ×
n0 n0

For nA = 0.24 mmol/g

0.24 2 0.24
0.01 ×
0.24 0.9 0.9
P= ×( )×exp ⁡( )
0.01
1− (
0.24
0.9 )
1+ 0.01× (
0.24
0.9 )
P (calculated) =32.7281 kPa
by assuming constnetn we get values of P calculated. But this does not match with original
data so that we have minimize value of (P-P(calculated)) summation to do non linear
regration for this set of value.
 P nA P (calculated) (P-P(calculated))^2
0 0 0 0
10 0.14 9.518041992 0.232283522
20 0.24 19.32468633 0.456048559
35 0.34 33.56418081 2.061576735
44 0.39 43.40510718 0.353897471
55 0.43 53.28809041 2.930634444
61 0.46 62.30933018 1.714345518
70 0.49 73.18125246 10.12036722
85 0.52 86.53842967 2.366765857
100 0.54 97.27944035 7.40144479
SUM 27.63736412

nA Vs P
After regrassion
0.6

0.5

0.4

0.3
nA

0.2

0.1

0
0 10 20 30 40 50 60 70 80 90 100
P (kPa)

By Using Non Liner regression we get value for Constant

no = 0.7824 mmol/g
b = 0.0179
α = 0.009
nA θ
2
α ×θ
general VST eqation : P= ×( ) ×exp ⁡( )
b (1−θ ) 1+ ( α ×θ )
 nA 2 nA
α ×
nA n0 n0 nA
P= ×( )×exp ⁡( ) ( where θ=¿ )
( ) ( )
b nA nA n0
1− 1+ α ×
n0 n0

For nA = 0.24 mmol/g

0.24 0.24
0.0092 ×
0.24 0.7824 0.7824
P= ×( )× exp ⁡( )
0.0179
1− (
0.24
0.7824
1+ 0.009 × )
0.24
0.7824 ( )
P (calculated) =19.3246 kPa
From Above Calculation and graph it is clearly define linear graph for VST eqation.which
indicates that VST model is applicable for this set of data.

Part B
Graph of n Vs. P

Na Vs P
0.6

0.5

0.4
nA (mmole/g)

0.3

0.2

0.1

0
0 20 40 60 80 100 120
P (kPa)

nA θ
2
α ×θ
general VST eqation : P= ×( ) ×exp ⁡( )
b (1−θ ) 1+ ( α ×θ )
 nA 2 nA
α ×
nA n0 n0 nA
P= ×( )×exp ⁡( ) ( where θ=¿ )
( ) ( )
b nA nA n0
1− 1+ α ×
n0 n0

For nA = 0.14 mmol/g

0.14 0.14
0.0092 ×
0.14 0.7824 0.7824
P= ×( )× exp ⁡( )
0.0179
1− (
0.14
0.7824 )
1+ 0.009 ×
0.14
0.7824 ( )
P = 9.5180 kPa

nA P nA P nA P nA P
8.70271 21.2394 47.1062
0 0 0.13 5 0.256 8 0.406 8
21.9878 48.5766
0.005 0.2809 0.135 9.10723 0.262 9 0.412 5
0.56543 9.51804 22.7537 50.0954
0.01 7 0.14 2 0.268 4 0.418 2
0.85368 9.93529 23.5376 51.6650
0.015 2 0.145 8 0.274 8 0.424 4
1.14570 10.3591 24.3403 53.2880
0.02 8 0.15 5 0.28 3 0.43 9
1.44158 10.7897 25.1623 54.9673
0.025 9 0.155 6 0.286 9 0.436 6
1.74140 11.2272 26.0045 56.7058
0.03 3 0.16 9 0.292 6 0.442 1
2.04522 26.8675 58.5066
0.035 8 0.165 11.6719 0.298 9 0.448 4
2.35314 12.1237 27.7522 60.3732
0.04 5 0.17 8 0.304 7 0.454 5
2.66523 12.5830 28.6594 62.3093
0.045 8 0.175 9 0.31 1 0.46 3
2.98159 13.0500 29.5898 64.3188
0.05 3 0.18 3 0.316 9 0.466 2
3.30229 13.5247 30.5446 66.4059
0.055 6 0.185 8 0.322 3 0.472 8
3.62743 14.0075 31.5245 68.5753
0.06 8 0.19 4 0.328 7 0.478 9
3.95711 14.4985 32.5307 70.8320
0.065 3 0.195 3 0.334 3 0.484 3
4.29141 14.9979 33.5641 73.1812
0.07 5 0.2 4 0.34 8 0.49 5
4.63044 34.6260 75.6288
0.075 3 0.205 15.506 0.346 4 0.496 8
4.97429 16.0229 35.7175 78.1812
0.08 8 0.21 4 0.352 1 0.502 3
 5.32308 16.5489 36.8398 80.8451
0.085 3 0.215 9 0.358 3 0.508 7
5.67690 17.0843 37.9943 83.6281
0.09 5 0.22 9 0.364 4 0.514 8
6.03587 17.6293 39.1824 86.5384
0.095 4 0.225 9 0.37 3 0.52 3
6.40010 18.1842 89.5848
0.1 3 0.23 6 0.376 40.4056 0.526 4
6.76970 18.7492 41.6654
0.105 9 0.235 7 0.382 2 0.532 92.7772
7.14481 19.3246 42.9635 96.1262
0.11 2 0.24 9 0.388 7 0.538 6
7.52553 19.9108 44.3018 97.2794
0.115 4 0.245 1 0.394 2 0.54 4
7.91200 20.5079 45.6820
0.12 4 0.25 5 0.4 5 0.546 100.856
8.30435
0.125 3

nA Vs P
After Calculation for VST Original data
0.6

0.5

0.4

0.3
na

0.2

0.1

0
0 20 40 60 80 100 120
P (kPa)

This graph clearly indicates that original data matches with different 100
pressure values for Vacancy solution theory (VST).
So, After non linear rgrassion of this set of data calculated values for
constent is almost correct by comparing with original value.
That is why Vacancy solution theory (VST) is applicable.
For Component B
Applicability for Langmuir- Freundlich (Sips) isotherm
Part -A
For Component, A Data as Shown in Below table

P nB n(calculated) (n-n(calculated))^2
0 0 0 0
4 0.05 0.064285714 0.000204082
 10 0.09 0.138461538 0.002348521
25 0.15 0.257142857 0.011479592
44 0.21 0.34137931 0.017260523
55 0.23 0.373584906 0.020616625
61 0.24 0.387985866 0.021899816
70 0.26 0.406451613 0.021448075
85 0.28 0.430985915 0.022796747
100 0.3 0.45 0.0225
SUM 0.140553981

First assume values of constent.

b= 0.03
a=1
n0=0.6 mmol/g
1
(B × P) a
Langmuir- Freundlich (Sips) general eqation: θ= 1
a
1+(B × P)
1
a
nB (B× P)
By simplifying eqation = 1
n0
1+( B × P) a
1
nB (0.03 ×10) 1
For 10 kPa =
0.6 1
1+(0.5 ×10) 1
nA(calculated) =0.13 mmol/g

by assuming constnetn we get values of n A calculated. But this does not match with original
data so that we have minimize value of (n-n(calculated)) summation to do non linear
regration for this set of value.

P nB n(calculated) (n-n(calculated))^2
0 0 0 0
4 0.05 0.044620818 2.89356E-05
10 0.09 0.086946454 9.32414E-06
 25 0.15 0.15569385 3.24199E-05
44 0.21 0.210108218 1.17112E-08
55 0.23 0.233067022 9.40663E-06
61 0.24 0.243842897 1.47679E-05
70 0.26 0.258194354 3.26036E-06
85 0.28 0.278328021 2.79552E-06
100 0.3 0.294910296 2.59051E-05
SUM 0.000126827

nB Vs P
0.35

0.3

0.25

0.2
nB

0.15

0.1

0.05

0
0 20 40 60 80 100 120
P (kPa)

After Regration

By Using Non Liner regression we get value for Constant b,a and n0.
b= 0.015
a=1.1983
n0=0.5 mmol/g
1
a
(B × P)
Langmuir- Freundlich (Sips) general eqation: θ= 1
1+(B × P) a
1
nB (B× P) a nB
By simplifying eqation = ( where θ=¿ )
n0 1
n0
1+( B × P) a
1
nB (0.015× 10)1.1983
For 10 kPa =
0.5 1
1.1983
1+(0.015 ×10)
nB(calculated) =0.0869 mmol/g
From Above Calculation and graph it is clearly define linear graph for sips eqation.which
indicates that sips model is applicable for this set of data

Part B
Graph of n Vs. P

nB Vs P
0.35

0.3

0.25
nB (mmol/g)

0.2

0.15

0.1

0.05

0
0 20 40 60 80 100 120
P (kPa)

1
(B × P) a
Langmuir- Freundlich (Sips) general eqation: θ= 1
a
1+(B × P)
1
nB (B× P) a
By simplifying eqation =
n0 1
1+( B × P) a
1
nB (0.015× 76) 1.1983
For 76 kPa = 1
0.5 1.1983
1+(0.015 ×76)
We get value of nB =0.2667 mmol/g
Likewise, for different 100 values of P (kPa)

P nB P nB P nB P nB
0.15922 0.22524 0.26675
0 0 26 4 51 6 76 1
0.01494 0.16266 0.22725 0.26810
1 6 27 1 52 3 77 8
0.02604 0.22922 0.26944
2 3 28 0.16601 53 5 78 6
0.03577 0.16927 0.23116 0.27076
3 9 29 3 54 3 79 6
0.04462 0.17245 0.23306 0.27206
4 1 30 5 55 7 80 9
0.17555 0.23493 0.27335
5 0.05279 31 9 56 9 81 4
0.06041 0.17858 0.23677 0.27462
6 6 32 9 57 9 82 2
0.06758 0.18154 0.23858 0.27587
7 9 33 8 58 9 83 3
0.07437 0.18443 0.24036 0.27710
8 1 34 8 59 9 84 9
0.08081 0.18726 0.27832
9 1 35 2 60 0.24212 85 8
0.08694 0.19002 0.24384 0.27953
10 6 36 4 61 3 86 2
0.09280 0.19272 0.24553
11 8 37 5 62 8 87 0.28072
0.09842 0.19536 0.24720 0.28189
12 2 38 7 63 7 88 4
0.10380 0.19795 0.28305
13 9 39 3 64 0.24885 89 2
0.10898 0.20048 0.25046 0.28419
14 8 40 5 65 7 90 7
0.11397 0.20296 0.25205 0.28532
15 5 41 5 66 9 91 7
0.11878 0.20539 0.25362 0.28644
16 3 42 4 67 8 92 4
0.12342 0.20777 0.25517 0.28754
17 6 43 5 68 3 93 7
0.12791 0.21010 0.25669 0.28863
18 3 44 8 69 5 94 6
0.13225 0.21239 0.25819 0.28971
19 5 45 6 70 4 95 3
0.25967 0.29077
20 0.13646 46 0.21464 71 2 96 7
0.14053 0.21684 0.26112 0.29182
21 7 47 1 72 9 97 9
0.14449 0.21900 0.26256 0.29286
22 3 48 1 73 4 98 8
0.14833 0.22112 0.26397 0.29389
23 3 49 1 74 9 99 5
24 0.15206 50 0.22320 75 0.26537 100 0.29491
 5 2 5
0.15569
25 4

0.35 nB Vs P
Original Sips at 100 P values
0.3

0.25

0.2
nB

0.15

0.1

0.05

0
0 20 40 60 80 100 120
P(kPa)

This graph clearly indicates that original data matches with different 100
pressure values for Langmuir- Freundlich (Sips) isotherm.
So, After non linear rgrassion of this set of data calculated values for
constent is almost correct by comparing with original value.
That is why Langmuir- Freundlich (Sips) model is applicable.
Applicability for Vacancy solution theory (VST).
For Component, B Data as Shown in Below table

P nB P (calculated) (P-P(calculated))^2
0 0 0 0
4 0.05 2.780529415 1.487108508
10 0.09 5.49751685 20.27235452
25 0.15 10.74553786 203.1896908
44 0.21 18.17656529 666.8497804
55 0.23 21.39015737 1129.621521
61 0.24 23.18286133 1430.135977
70 0.26 27.21753673 1830.339163
85 0.28 31.98736279 2810.339704
100 0.3 37.71286603 3879.687058
SUM 11971.92236

First assume values of constent.

Note: for this calculation n1∞=n B and b1 = b

no = 0.5 mmol/g
b = 0.02
α = 0.1
nB θ
2
α ×θ
general VST eqation : P= ×( ) ×exp ⁡( )
b ( 1−θ ) 1+ ( α ×θ )
nB nB
α2 ×
nB n0 n0 nB
P= ×( )×exp ⁡( ) ( where θ=¿ )
( ) ( )
b nB nB n0
1− 1+ α ×
n0 n0

For nB = 0.15 mmol/g

 0.15 0.15
0.12 ×
0.15 0.5 0.5
P= ×( )×exp ⁡( )
0.02
(
1−
0.15
0.5 ) 1+ 0.1 ×
0.15
0.5 ( )
P (calculated) =18.1765 kPa
by assuming constnetn we get values of P calculated. But this does not match with original
data so that we have minimize value of (P-P(calculated)) summation to do non linear
regration for this set of value.

P nB P (calculated) (P-P(calculated))^2
0 0 0 0
4 0.05 4.477898153 0.228386645
10 0.09 10.35473619 0.125837766
25 0.15 23.98420896 1.031831446
44 0.21 45.26304222 1.595275658
55 0.23 54.59650606 0.16280736
61 0.24 59.77605098 1.498051214
70 0.26 71.2975065 1.683523118
85 0.28 84.59123473 0.167089043
100 0.3 99.98658925 0.000179848
SUM 6.492982098

nB Vs P
After Regrration
0.35
0.3
0.25
0.2
nB

0.15
0.1
0.05
0
0 20 40 60 80 100 120
P (kPa)

By Using Non Liner regression we get value for Constant

no = 0.6042 mmol/g
b = 0.0161
α = 2.0038
nB θ α 2 ×θ
general VST eqation : P= ×( ) ×exp ⁡( )
b ( 1−θ ) 1+ ( α ×θ )
nB 2 nB
α ×
nB n0 n0 nB
P= ×( )×exp ⁡( ) ( where θ=¿ )
( ) ( )
b nB nB n0
1− 1+ α ×
n0 n0

For nB = 0.23 mmol/g

0.23 0.23
2.0038 2 ×
0.23 0 .6042 0. 6042
P= ×( )× exp ⁡( )
0.061
1− (
0.23
0. 6042 )
1+ 2.0038 × (
0.23
0. 6042 )
P (calculated) =54.5965 kPa

From Above Calculation and graph it is clearly define linear graph for VST eqation.which
indicates that VST model is applicable for this set of data

Part B
Graph of n Vs. P

nB Vs P
0.35

0.3

0.25
nB (mmol/g)

0.2

0.15

0.1

0.05

0
0 20 40 60 80 100 120
P (kPa)
 nB θ α 2 ×θ
General VST eqation : P= ×( )×exp ⁡( )
b ( 1−θ ) 1+ ( α ×θ )
nB 2 nB
α ×
nB n0 n0 nB
P= ×( )×exp ⁡( ) ( where θ=¿ )
( ) ( )
b nB nB n0
1− 1+ α ×
n0 n0

For nB = 0.24 mmol/g

0.24 0. 24
2.00382 ×
0. 24 0.6042 0.6042
P= ×( )× exp ⁡( )
0.061
1− (
0. 24
0.6042 )
1+ 2.0038× (
0. 24
0.6042 )
P = 59.7760 kPa

nB P nB P nB P nB P
0 0 0.078 8.351853 0.153 24.845 0.228 53.60342
0.003 0.189964 0.081 8.832393 0.156 25.72495 0.231 55.09828
0.006 0.389295 0.084 9.326263 0.159 26.62439 0.234 56.62486
0.009 0.598132 0.087 9.833648 0.162 27.54364 0.237 58.18387
0.012 0.816612 0.09 10.35474 0.165 28.48306 0.24 59.77605
0.015 1.044872 0.093 10.88972 0.168 29.44301 0.243 61.40216
0.018 1.283052 0.096 11.43879 0.171 30.42385 0.246 63.063
0.021 1.531291 0.099 12.00216 0.174 31.42595 0.249 64.75938
0.024 1.789727 0.102 12.58002 0.177 32.4497 0.252 66.49215
0.027 2.058502 0.105 13.17259 0.18 33.49551 0.255 68.26218
0.03 2.337756 0.108 13.78007 0.183 34.56378 0.258 70.07038
0.033 2.627632 0.111 14.40269 0.186 35.65493 0.261 71.91768
0.036 2.928273 0.114 15.04068 0.189 36.7694 0.264 73.80506
0.039 3.239824 0.117 15.69426 0.192 37.90765 0.267 75.73353
0.042 3.562432 0.12 16.36366 0.195 39.07011 0.27 77.70412
0.045 3.896242 0.123 17.04913 0.198 40.25729 0.273 79.71793
0.048 4.241407 0.126 17.75092 0.201 41.46965 0.276 81.77607
0.051 4.598075 0.129 18.46927 0.204 42.70772 0.279 83.87971
0.054 4.966402 0.132 19.20445 0.207 43.972 0.282 86.03005
0.057 5.346542 0.135 19.95671 0.21 45.26304 0.285 88.22834
0.06 5.738652 0.138 20.72635 0.213 46.58139 0.288 90.4759
0.063 6.142894 0.141 21.51362 0.216 47.92762 0.291 92.77407
0.066 6.559429 0.144 22.31882 0.219 49.30232 0.294 95.12426
0.069 6.988423 0.147 23.14225 0.222 50.7061 0.297 97.52793
0.072 7.430044 0.15 23.98421 0.225 52.13958 0.3 99.98659
0.075 7.884462
 nB Vs P
0.35 Original VST for 100 different nB Values

0.3

0.25

0.2
nB

0.15

0.1

0.05

0
0 20 40 60 80 100 120
P

This graph clearly indicates that original data matches with different 100
pressure values for Vacancy solution theory (VST).
So, After non linear rgrassion of this set of data calculated values for
constent is almost correct by comparing with original value.
That is why Vacancy solution theory (VST) is applicable.