CHEP7005 DCE2 Binary distillation assignment

Task 1: Vapour liquid equilibrium

Na
me

Helvio Jose Jalles Monteiro

Allocated
binary

y vs. x diagram for Acetone/ Methyl Ethyl Ketone

1
0.9
0.8
0.7
0.6
0.5
Y, Vapour mole fraction, Acetone
0.4
0.3
0.2
0.1
0

Hirata et al
Aspen

1
0

X, Liquid mole fraction, Acetone

Relative volatility vs. x diagram for Acetone/ Methyl Ethyl Ketone

2
1.98
Hirata et al

1.96

Aspen calculated values

Relative volatility 1.94

Aspen - preditec
values

1.92
1.9
1.88

0 0.5 1

X, Liquid mole fraction, Acetone

Acetone/Methyl Ethyl
Ketone

T vs. xy diagram for Acetone/Methyl Ethyl Ketone

85
80

Bubble point
Hirata et al

75

Dew point Hirata

et al

70

Temperature (C) 65

Dew point Aspen

60

Bubble point
Aspen

55
50

0 0.5 1

Liquid/Vapour mole fraction, Acetone

Data source
Hirata et al ( 1975)

Aspen software

Wilson
parameter
A12: 0.50562
A21: 1.50276

NRTL parameter

Unity

A12: 3.2073
A21: 1.188

A12: -8.0985
A21: 5.1025

Temperature:
C Pressure:
mmHg
Temperature:
C Pressure: bar

Commentary:
The azeotrope search says the binary is an azeotrope at 0.068 mole
fraction of Acetone and 79.4C, differing from the data in Hirata et al and the
database NIST in Aspen. Also, the analysis of Aspen using the Wilson correlation
misrepresents an azeotrope as a result. This may have been caused thanks to
the divergence in Wilson parameter found in both references, however this
divergence can be caused because each source use a different unity for the
pressure, Hirata uses mmHg and Aspen uses bar, even if both are at atmospheric

pressure. According to instructions it was used the NRTL method for the analysis
in Aspen.
The relative volatility predicted from Aspens data is almost constant,
while from Hirata et al varies with the liquid molar fraction of acetone. Constant
relative volatility is a special case in which it is possible to find the equilibrium
curve rearranging mathematically the equation to calculate the relative volatility.
The two relative volatilities have quite different values as can be seen in the
graph. When the value of the relative volatility is 1, both components are equally
volatile and the separation is not possible. The higher the value, the greater the
area of separation and easier is the separation. From this, it is possible to
conclude that for this binary the Aspens data makes the separation easier,
however this values differs from experimental results, and can be wrong. If used
without precaution can cause errors and problems when design an equipment.

Signature: _________________________________
22/April/2016

Date:

Appendix 1.1: Tables of the yx data as provided in Hirata et al, and

predicted by AspenPlus; and of the relative volatility as calculated from
the literature VLE and AspenPlus predicted values.

Table 1: Hirata et al xy and relative volatility values.

Hirata et al, 1975

X,
Aceto
ne
liquid
mole
fractio
n

Y,
Aceto
ne
vapou
r mole
fractio
n

Temperatu
re (C)

Pressu
re
(mmH
g)

0.057

0.086

77.8

760

0.17

0.244

74.4

760

0.263

0.37

71.9

760

0.353

0.475

69.5

760

0.437

0.565

67.4

760

0.552

0.67

64.8

760

0.653

0.76

62.8

760

0.763

0.847

60.6

760

0.88

0.932

58.4

760

Relativ
e
volatilit
y
1.5566
43
1.5757
86
1.6457
84
1.6583
03
1.6733
48
1.6477
82
1.6827
46
1.7195
54
1.8689
84

Table 2: Aspen software xy and relative volatility values

Aspen software
X,
Aceton
e liquid
mole
fractio
n

Y,
Aceton
e
vapour
mole
fractio
n

0
0.0196
08
0.0392

0
0.0370
72
0.0728

Relative
volatilit
ycalculat
ed
values

K
values
for
Aceton
e

1.0132
5 1.0132 1.92495
78.77447
5
03
78.20728 1.0132 1.92513

1.9261
55
1.8906
59
1.8577

Temperatu
re (C)

79.34243

Pressu
re
(bar)

K
values
for
Methyl
Ethyl
Ketona
1
0.9821
87
0.9649

Relative
volatility
predicte
d values
1.92615
5
1.92494
85
1.92513

16
0.0588
24
0.0784
31
0.0980
39
0.1176
47
0.1372
55
0.1568
63
0.1764
71
0.1960
78
0.2156
86
0.2352
94
0.2549
02
0.2745
1
0.2941
18
0.3137
26
0.3333
33
0.3529
41
0.3725
49
0.3921
57
0.4117
65
0.4313
73
0.4509
8
0.4705
88
0.4901
96
0.5098
04
0.5294
12
0.5490
2

52
0.1074
68
0.1410
13
0.1735
6
0.2051
64
0.2358
62
0.2656
86
0.2946
56
0.3227
93
0.3501
11
0.3766
27
0.4023
56
0.4273
15
0.4515
22
0.4749
98
0.4977
63
0.5198
4
0.5412
52
0.5620
23
0.5821
77
0.6017
39
0.6207
34
0.6391
86
0.6571
18
0.6745
54
0.6915
17
0.7080
28

77.63995
77.07188
76.50283
75.93283
75.36215
74.79127
74.22079
73.65143
73.08398
72.51925
71.95803
71.40109
70.84917
70.30293
69.76297
69.22982
68.70392
68.18566
67.67536
67.17326
66.67955
66.19438
65.71783
65.24997
64.7908
64.34031

5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5
1.0132
5

89
1.92651
91
1.92890
03
1.93208
9
1.93590
33
1.94017
68
1.94475
36
1.94949
3
1.95427
47
1.95899
55
1.96356
88
1.96791
96
1.97199
44
1.97574
89
1.97915
23
1.98218
64
1.98483
9
1.98710
76
1.98899
43
1.99050
81
1.99166
18
1.99246
75
1.99294
59
1.99311
24
1.99298
98
1.99259
6
1.99195
38

37
1.8269
47
1.7979
13
1.7703
15
1.7438
91
1.7184
25
1.6937
46
1.6697
19
1.6462
43
1.6232
42
1.6006
63
1.5784
72
1.5566
47
1.5351
76
1.5140
57
1.4932
9
1.4728
8
1.4528
34
1.4331
57
1.4138
58
1.3949
4
1.3764
1
1.3582
69
1.3405
21
1.3231
64
1.3061
99
1.2896
23

9
0.9483
16
0.9320
93
0.9162
7
0.9008
15
0.8857
05
0.8709
31
0.8564
89
0.8423
8
0.8286
08
0.8151
8
0.8021
02
0.7893
77
0.7770
1
0.7650
03
0.7533
55
0.7420
65
0.7311
3
0.7205
44
0.7103
0.7003
9
0.6908
06
0.6815
39
0.6725
76
0.6639
09
0.6555
26
0.6474
16

54
1.92651
75
1.92889
98
1.93208
86
1.93590
45
1.94017
74
1.94475
34
1.94949
33
1.95427
69
1.95899
78
1.96356
9
1.96792
03
1.97199
49
1.97574
86
1.97915
3
1.98218
66
1.98483
88
1.98710
79
1.98899
41
1.99050
91
1.99166
09
1.99246
85
1.99294
51
1.99311
33
1.99298
94
1.99259
65
1.99195
39

0.5686
28
0.5882
35
0.6078
43
0.6274
51
0.6470
59
0.6666
67
0.6862
75
0.7058
82
0.7254
9
0.7450
98
0.7647
06
0.7843
14
0.8039
22
0.8235
29
0.8431
37
0.8627
45
0.8823
53
0.9019
61
0.9215
69
0.9411
77
0.9607
84
0.9803
92

0.7241
08
0.7397
77
0.7550
53
0.7699
56
0.7845
02
0.7987
07
0.8125
87
0.8261
57
0.8394
29
0.8524
17
0.8651
33
0.8775
88
0.8897
93
0.9017
58
0.9134
92
0.9250
04
0.9363
03
0.9473
95
0.9582
89
0.9689
9
0.9795
05
0.9898
4

63.89846
63.4652
63.04042
62.62405
62.21598
61.81607
61.42422
61.04028
60.66412
60.2956
59.93458
59.58092
59.23448
58.89511
58.56267
58.23703
57.91804
57.60558
57.29951
56.9997
56.70602
56.41835
56.13651

1.0132 1.99107
5
96
1.0132 1.98999
5
74
1.0132 1.98872
5
45
1.0132 1.98727
5
89
1.0132 1.98568
5
07
1.0132 1.98394
5
47
1.0132 1.98208
5
95
1.0132 1.98012
5
74
1.0132 1.97807
5
54
1.0132 1.97594
5
85
1.0132 1.97375
5
57
1.0132 1.97151
5
21
1.0132 1.96922
5
94
1.0132 1.96691
5
49
1.0132 1.96458
5
56
1.0132 1.96224
5
56
1.0132 1.95990
5
44
1.0132 1.95756
5
88
1.0132 1.95525
5
21
1.0132 1.95295
5
18
1.0132 1.95069
5
1
1.0132 1.94846
5
08
1.0132
5 -

1.2734
31
1.2576
2
1.2421
85
1.2271
18
1.2124
12
1.1980
61
1.1840
56
1.1703
89
1.1570
51
1.1440
33
1.1313
28
1.1189
25
1.1068
16
1.0949
92
1.0834
44
1.0721
64
1.0611
43
1.0503
73
1.0398
45
1.0295
51
1.0194
85
1.0096
37
0.9999
98

0.6395
68
0.6319
71
0.6246
14
0.6174
86
0.6105
78
0.6038
78
0.5973
78
0.5910
67
0.5849
38
0.5789
8
0.5731
85
0.5675
46
0.5620
55
0.5567
05
0.5514
87
0.5463
97
0.5414
26
0.5365
7
0.5318
22
0.5271
76
0.5226
28
0.5181
73
0.5138
04

1.99107
99
1.98999
7
1.98872
49
1.98728
1.98568
01
1.98394
48
1.98208
87
1.98012
78
1.97807
63
1.97594
7
1.97375
61
1.97151
28
1.96922
97
1.96691
75
1.96458
56
1.96224
46
1.95990
29
1.95756
97
1.95525
08
1.95295
35
1.95068
85
1.94845
69
1.94626
49