Spreadsheet: 743185d1628275995-automate-table-creation-through-iterative-process-table-gen-from-a-formula-output_question
Sheet: aij-UNIFAC (VLE)

Parameters from "Chemical Engineering Thermodynamics", [NAME],
Sangam Books, London, 1997.
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Table 3. Interaction Parameters to be used in the calculations for the selected groups as indicated on sheet "UNIFAC (VLE)".
Table 1. Residual Group Interaction Parameters for Main Groups. |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Do not edit this table unless you want to reprogram. Change values in Tables 1 and 2 unless you want to reprogram.
For a new main group, carefully replace all entries for the row and column associated with the new group. You must unprotect
the sheet, and then change only the values in blue. See Table 2 on this sheet for subgroup parameters. |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | T= |  | C
(The chemical structures for the main groups listed here are shown in Table 2 below). |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | [NAME] (i=column, j=row)
NOTE: BLANK CELLS MEAN THE VALUE IS UNAVAILABLE AND A VALUE OF ZERO IS USED IN CALCULATIONS. |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Sub | Main
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Group | Group |  | R | Q
1 | 0 | 86.02 | 61.13 | 76.5 | 986.5 | 697.2 | 1318 | 1333 | 476.4 | 677 | 232.1 | 391.5 | 920.7 | 663.5 | 53.76 | 24.9 | 380.9
2 | -35.36 | 0 | 38.81 | 74.15 | 524.1 | 787.6 | 270.6 | 526.1 | 182.6 | 448.8 | 37.85 | 240.9 | 749.3 | 318.9 | 58.55 | -13.99 | 200.2
3 | -11.12 | 3.446 | 0 | 167 | 636.1 | 637.3 | 903.8 | 1329 | 25.77 | 347.3 | 5.994 | 161.7 | 648.2 | 537.4 | -144.4 | -231.9
4 | -69.7 | -113.6 | -146.8 | 0 | 803.2 | 603.2 | 5695 | 884.9 | -52.1 | 586.6 | 5688 | 19.02 | 664.2 | 872.3 | -111 | -80.25
5 | 156.4 | 457 | 89.6 | 25.82 | 0 | -137.1 | 353.5 | -259.7 | 84 | -203.6 | 101.1 | 8.642 | -52.39 | 199 | 65.28 | -98.12 | -382.7
6 | 16.51 | -12.52 | -50 | -44.5 | 249.1 | 0 | -181 | -101.7 | 23.39 | 306.4 | -10.72 | 359.3 | 489.7 | -202 | -102.5 | -139.4
7 | 300 | 496.1 | 362.3 | 377.6 | -229.1 | 289.6 | 0 | 324.5 | -195.4 | -116 | 72.87 | 48.89 | 243.2 | -14.09 | 370.4 | 353.7 | 835.6
8 | 275.8 | 217.5 | 25.34 | 244.2 | -451.6 | -265.2 | -601.8 | 0 | -356.1 | -271.1 | -449.4 |  | 119.9 | 408.9
9 | 26.76 | 42.92 | 140.1 | 365.8 | 164.5 | 108.7 | 472.5 | -133.1 | 0 | -37.36 | -213.7 |  | 6201 | 669.4 | -130.3 | -354.6
10 | 505.7 | 56.3 | 23.39 | 106 | 529 | -340.2 | 480.8 | -155.6 | 128 | 0 | -110.3 |  |  | 497.5 | 67.52 | -483.7
11 | 114.8 | 132.1 | 85.84 | -170 | 245.4 | 249.6 | 200.8 | -36.72 | 372.2 | 185.1 | 0 |  | 475.5 | 660.2 | 108.9 | -209.7
14 | -30.48 | 1.163 | -44.85 | 296.4 | -242.8 | -481.7 | -330.4 |  |  |  |  | 0 | -200.7
17 | 1139 | 2000 | 247.5 | 762.8 | -17.4 | -118.1 | -341.6 | -253.1 | -450.3 |  | -294.8 | -15.07 | 0 | -396 | -111
20 | 315.3 | 1264 | 62.32 | 89.96 | -151 | 339.8 | -66.17 | -11 | -297.8 | -165.5 | -256.3 |  | 493.8 | 0 | -44.7 | 39.63 | -322.3
22 | 34.1 | -23.5 | 121.3 | 140.8 | 527.6 | 669.9 | 708.7 |  | 82.86 | 190.6 | -133 |  | 140.8 | 543.3 | 0 | 0
23 | 36.7 | 51.06 | 228.5 | 69.9 | 742.1 | 649.1 | 826.8 |  | 552.1 | 242.8 | 176.5 |  |  | 504.2 | -84.53 | 0
46 | 27.97 | 9.755 |  |  | 394.8 |  | -509.3 |  |  |  |  |  |  | -70.25 |  |  | 0
Table 2. Sub-group Surface and Volume Parameters.
All sub-groups within a main group use the same residual group interaction parameters from Table 1.
To add a new sub-group, unprotect the sheet and overwrite one of the existing rows unless you want to reprogram. If the new
sub-group belongs to a main group that is not already listed, a row and column in Table 1 will also need to be changed. |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Table 4. Matrix of Y values used in calculations on sheet "UNIFAC (VLE).
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Do not edit this table unless you want to reprogram. Change values in Tables 1 and 2 unless you want to reprogram.
SubGroup | MainGroup |  | R | Q |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Y
1 | 1 | CH3 | 0.9011 | 0.848
2 | 1 | CH2 | 0.6744 | 0.54
3 | 1 | CH | 0.4469 | 0.228
4 | 1 | C | 0.2195 | 0
5 | 2 | CH2=CH | 1.3454 | 1.176
6 | 2 | CH=CH | 1.1167 | 0.867
7 | 2 | CH2=C | 1.1173 | 0.988
8 | 2 | CH=C | 0.8886 | 0.676
70 | 2 | C=C | 0.6605 | 0.485
9 | 3 | ACH | 0.5313 | 0.4
10 | 3 | AC | 0.3652 | 0.12
11 | 4 | ACCH3 | 1.2663 | 0.968
12 | 4 | ACCH2 | 1.0396 | 0.66
13 | 4 | ACCH | 0.8121 | 0.348
14 | 5 | OH | 1 | 1.2
15 | 6 | CH3OH | 1.4311 | 1.432
16 | 7 | H2O | 0.92 | 1.4
17 | 8 | ACOH | 0.8952 | 0.68
18 | 9 | CH3CO | 1.6724 | 1.488
19 | 9 | CH2CO | 1.4457 | 1.18
20 | 10 | CHO | 0.998 | 0.948
21 | 11 | CH3COO | 1.9031 | 1.728
22 | 11 | CH2COO | 1.6764 | 1.42
29 | 14 | CH2NH2 | 1.3692 | 1.236
36 | 17 | [NAME] | 1.06 | 0.816
42 | 20 | COOH | 1.3013 | 1.224
49 | 22 | CCL2 | 1.8016 | 1.448
51 | 23 | CCL3 | 2.6401 | 2.184
99 | 46 | CON(CH2)2 | 2.4054 | 1.812