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Instructions

Welcome to GAMMAFIT.XLS
There are five worksheets to help in fitting activity coefficient.
The worksheets use the Margules equation, but can easily be reprogrammed for other models.
P-x-y fit P

Use this worksheet to fit P-x-y data or prepare P-x-y plot from literature fit.

P-x-y Plot

Automatic plot generated from 'P-x-y fit P'

T-x-y fit P

Use this worksheet to fit to T-x-y data or enter data for T-x-y plot.
The pressure is fit to adjust the parameters.

T--x-y Calc T

This worksheet calculates the bubble temperatures from the data


entered in 'T-x-y fit P'. Use this to generate the T-x-y plot after data is fit
in "T-x-y fit P'.

T-x-y Plot

Automatic plot generated from 'T-x-y fit P' and 'T-x-y Calc T'.

When viewing a chart, Right click on a data set or axis to modify.


See the text appendix for additional hints on plotting multiple data sets.
For the T-x-y plot you will need to reset the data series for each new system. To do this,
1) Left click on the data series. In the forumula bar, the formula will look something like:
=SERIES(,'T-x-y Calc T'!$A$18:$A$43,'T-x-y Calc T'!$G$18:$G$43,1)
where the worksheet and cells are referenced for the coordinates to be plotted.
2) Highlight an entire reference, (e.g. 'T-x-y Calc T'!$A$18:$A$43), by dragging the mouse.
3) Click on the worksheet tab that the data should come from, (e.g. "T-x-y Calc T').
4) Drag over the desired range. Repeat for the other data sets.
Copyright 1997, Carl Lira
For use with "An Introduction to Applied Thermodynamics" by J.R. Elliott, C.T. Lira
www.egr.msu.edu/~lira/thermtxt.htm
Plot formats:
Plot Data Series:

Page 1

Instructions

new system. To do this,


a will look something like:

nates to be plotted.
43), by dragging the mouse.
(e.g. "T-x-y Calc T').

Page 2

P-x-y fit P

P-x-y fit Pressure


Margules Equation
Using Modified Raoult's Law
Sheet must be unprotected to use Solver
Instructions:
1) provide system component names, system T, and either/or Antione coefficients or experimental vapor pressures.
Be careful to match the Antoine coefficients with the logarithmic form (base 10 or base e) and units of P sat.
Note: cell references 2) Enter data in columns A, E(optional), F(optional), and I . Data may be entered in rows 20 through 211.
in instructions are
3) Set initial guesses for activity model parameters in D17 and E17.
outdated if rows or
4) Specify in M21 whether to use experimental or calculated vapor pressure.
columns are added 5) Unprotect sheet.
or deleted.
6) Tools... Solver ... Minimize M25 by adjusting D17:E17. Plot is generated automatically on next worksheet.
7) Protect sheet when done to avoid inadvertent changes.
8) Printing: By default, Excel will want to include to about row 61 since it isnt empty.
To override the default, highlight the desired print range, then choose File...PrintClick the 'Selection' radio button.
9) See the INSTRUCTIONS worksheet for hints on updating the plot for new data sets.
Antoine Coefficents
Calculated Expt
Selected
System Components
Parameters to adjust
A
B
C
Psat(mm Hg) Psat(mm Hg) Psat(mm Hg)
A12
A21
(1) 2-propanol
T(C)
1 8.87829 2010.33 252.636 58.2776217
60.7
60.7
(2) water
x1

1, calc

x2
0
0.0015
0.0111
0.0231
0.0357
0.0649
0.1168
0.197
0.2271
0.312
0.3958
0.4477
0.5009
0.6369
0.7542
0.8245
0.9363
1

1
0.9985
0.9889
0.9769
0.9643
0.9351
0.8832
0.803
0.7729
0.688
0.6042
0.5523
0.4991
0.3631
0.2458
0.1755
0.0637
0

8.785079
8.695982
8.152908
7.535179
6.95177
5.815504
4.353254
2.970369
2.62311
1.945005
1.549309
1.386629
1.264065
1.083192
1.01937
1.004463
0.999471
1

2.173055 0.942929
30
<---optional----->
2,calc
y1,expt
y2,expt
1
1.000008
1.000416
1.001787
1.004234
1.013755
1.043423
1.119928
1.158008
1.292474
1.463142
1.586209
1.724032
2.106142
2.411709
2.546001
2.622202
2.567492

0
0.0254
0.1374
0.2603
0.3577
0.4604
0.5316
0.5547
0.5611
0.5659
0.5907
0.589
0.6098
0.6462
0.7296
0.7752
0.8892
1

1
0.9746
0.8626
0.7397
0.6423
0.5396
0.4684
0.4453
0.4389
0.4341
0.4093
0.411
0.3902
0.3538
0.2704
0.2248
0.1108
0

2
y1,calc
0
0.024107
0.147468
0.251681
0.326426
0.42951
0.510602
0.551655
0.557245
0.563409
0.567416
0.572644
0.581846
0.630433
0.710348
0.778018
0.913749
1

8.07131
y2,calc
1
0.975893
0.852532
0.748319
0.673574
0.57049
0.489398
0.448345
0.442755
0.436591
0.432584
0.427356
0.418154
0.369567
0.289652
0.221982
0.086251
0

1730.63
Pexpt

233.426 31.7401673
Pcalc

32.1
33.8
37.1
42.3
47.2
55
60.3
62.9
63.5
64.4
65.1
65.8
66.6
66.9
66.8
65.7
63.2
60.7

32.1
32.84386
37.25008
41.98014
46.14952
53.33938
60.44532
64.38697
64.88977
65.3793
65.59962
65.80383
66.05434
66.42417
65.69551
64.61353
62.16513
60.7

(Perror)

32.1

32.1

Enter 1 to use Calculated Psat


0 Enter 0 to use Expt Psat
0.91419543
0
0.02252439
0.10231203
1.1035166
Objective Function
2.75767414
14.2679843522
0.02111918
2.21108884
Named cell ranges. See 'named ranges' in help index.
1.93145393
NOTE: this variable list is outdated if rows or columns
0.95903513
are added. Use 'InsertNamePastePaste List'
0.24961633
to paste current list.
1.468E-005
_A
='P-x-y fit P'!$H$16:$H$17
0.29774524
_A12
='P-x-y fit P'!$D$17
0.22641457
_A21
='P-x-y fit P'!$E$17
1.21989662
_B
='P-x-y fit P'!$I$16:$I$17
1.18041646
_C
='P-x-y fit P'!$J$16:$J$17
1.07096079
_g1
='P-x-y fit P'!$C$20:$C$211
0
_g2
='P-x-y fit P'!$D$20:$D$211
_Pc
='P-x-y fit P'!$J$20:$J$211
_Per
='P-x-y fit P'!$K$20:$K$211
_Pex
='P-x-y fit P'!$I$20:$I$211
_T
='P-x-y fit P'!$F$17
_Tcalc
='T-x-y Calc T'!$J$23:$J$214
_x1
='P-x-y fit P'!$A$20:$A$211
_x2
='P-x-y fit P'!$B$20:$B$211
_y1c
='P-x-y fit P'!$G$20:$G$211
_y2c
='P-x-y fit P'!$H$20:$H$211
P1s
='P-x-y fit P'!$M$16
P2s
='P-x-y fit P'!$M$17

The above row is the last row set up for naming and plotting.

Page 3

P-x-y Plot

P-x-y fit
80

70

60

50
P (mm Hg)
40

30

20

10

0
0

0.1

0.2

0.3

0.4

0.5
x1, y1

Page 4

0.6

0.7

0.8

0.9

T-x-y fit P

T-x-y fit Pressure


Margules Equation
Using Modified Raoult's Law
Sheet must be unprotected to use Solver
USE THIS SPEADSHEET TO FIT T-X-Y DATA or enter data for literature fit. (Plotting is completed from "T-x-y Calc T").
Instructions:
1) provide system component names, system T, and Antione coefficients.
Be careful to match the Antoine coefficients with the logarithmic form (base 10 or base e) and units of P sat.
Note: cell references 2) Enter data in columns A, E(optional), F(optional), I. Data may be entered in rows 21 through 212.
in instructions are
If fitting data, proceed with steps 3) - 6). If plotting existing fit, proceed to "T-x-y Calc T"
Objective Function
outdated if rows or 3) Set initial guesses for activity model parameters in D18 and E18.
9177.246800048
columns are added 4) Unprotect sheet. Add or delete calculation rows as necessary.
or deleted.
5) Tools... Solver ... Minimize L8 by adjusting D18:E18. Plot is generated after completing T-x-y Calc T.
6) Protect sheet when done to avoid inadvertent changes.
7) Printing: By default, Excel will want to include to about row 61 since it isnt empty.
To override the default, highlight the desired print range, then choose File...PrintClick the 'Selection' radio button.
8) See the INSTRUCTIONS worksheet for hints on updating the plot for new data sets.
Antoine Coefficents
Calculated
System Components
Parameters to adjust
A
B
C
Tsat(C)
A12
A21
(1) 2-propanol
P(mm Hg)
1 8.87829 2010.33 252.636
82.56
(2) water
x1

x2
0
0.0115
0.016
0.0365
0.057
0.1
0.1215
0.1665
0.1895
0.1935
0.245
0.2835
0.2975
0.298
0.3835
0.446
0.5145
0.559
0.646
0.6605
0.6955
0.765
0.809
0.8725
0.9535
1

2.270701 0.895882
760
2 8.07131 1730.63 233.426
<---optional----->
1, calc
2,calc
y1,expt
y2,expt
y1,calc
y2,calc
Texpt
P1sat
P2sat
1 9.686187
1
0
1
0
1.00
100 1,504.62
0.9885 8.916266 1.000478
0.163
0.837 0.169356
0.83
95.17 1,253.88
0.984 8.636713 1.000922
0.2115
0.7885 0.215837
0.78
93.4 1,171.36
0.9635 7.499195 1.004734
0.3655
0.6345 0.355145
0.64
88.05
949.42
0.943 6.552502
1.0114
0.4565
0.5435 0.431586
0.57
84.57
825.21
0.9 5.035672 1.03428
0.5015
0.4985 0.511326
0.49
82.7
764.39
0.8785 4.457598 1.050099
0.512
0.488 0.531615
0.47
82.32
752.52
0.8335 3.523491 1.092393
0.5215
0.4785 0.554588
0.45
81.99
742.33
0.8105 3.15617 1.118737
0.5375
0.4625 0.560244
0.44
81.58
729.84
0.8065 3.098409 1.123642
0.532
0.468 0.561034
0.44
81.75
735.00
0.755 2.485198 1.195286
0.539
0.461 0.565819
0.43
81.62
731.05
0.7165 2.150133 1.259036
0.553
0.447 0.566067
0.43
81.23
719.32
0.7025 2.048091 1.284349
0.554
0.446 0.565941
0.43
81.29
721.11
0.702 2.044617 1.285273
0.551
0.449 0.565931
0.43
81.28
720.81
0.6165 1.587641 1.463849
0.57
0.43 0.565582
0.43
80.9
709.52
0.554 1.37786 1.618037
0.592
0.408 0.569439
0.43
80.67
702.76
0.4855 1.223567 1.804934
0.6075
0.3925 0.580782
0.42
80.38
694.31
0.441 1.153362 1.932583
0.6255
0.3745 0.593285
0.41
80.31
692.28
0.354 1.06392 2.181624
0.6645
0.3355 0.631771
0.37
80.15
687.67
0.3395 1.05379 2.221289
0.6715
0.3285 0.640209
0.36
80.16
687.96
0.3045 1.033782 2.312567
0.6915
0.3085 0.663115
0.34
80.11
686.52
0.235 1.009278 2.465622
0.737
0.263 0.719829
0.28
80.23
689.97
0.191 1.001688 2.534657
0.7745
0.2255 0.763482
0.24
80.37
694.02
0.1275 0.997916 2.582805
0.834
0.166 0.836089
0.16
80.7
703.64
0.0465 0.999241 2.536399
0.9325
0.0675 0.939761
0.06
81.48
726.82
0
1 2.449494
1
0
1
0.00
82.25
750.35
Err:518
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100.00
Pcalc
760.09
637.63
597.10
487.44
425.61
395.20
389.25
384.14
377.88
380.46
378.49
372.60
373.50
373.35
367.68
364.28
360.03
359.01
356.70
356.84
356.12
357.85
359.89
364.72
376.36
388.16
Err:518
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(Perror)2
760.09
759.17
749.95
731.75
714.13
752.80
766.65
785.26
779.15
785.45
786.68
774.59
776.37
776.05
763.81
758.40
752.58
752.31
748.11
747.94
744.38
740.07
736.64
732.75
736.89
750.35
Err:518
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0.01
0.69
100.91
798.06
2,103.90
51.90
44.20
638.20
366.67
647.49
711.72
212.89
268.00
257.52
14.54
2.56
55.05
59.10
141.49
145.41
244.11
397.01
545.77
742.66
534.20
93.18
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Err:518
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Err:518
Err:518
Err:518
Err:518

Named cell ranges. See 'named ranges' in help index.


NOTE: this variable list is outdated if rows or columns
are added. Use 'InsertNamePastePaste List'
to paste current list.
_A
_A1
_A12
_A2
_A21
_B
_B1
_B2
_C
_C1
_C2
_g1
_g2
_Pc
_Per
_Pex
_T
_Tcalc
_x1
_x2
_y1c
_y2c
P1s
P2s

='P-x-y fit P'!$H$16:$H$17


='T-x-y fit P'!$H$17
='T-x-y fit P'!$D$18
='T-x-y fit P'!$H$18
='T-x-y fit P'!$E$18
='P-x-y fit P'!$I$16:$I$17
='T-x-y fit P'!$I$17
='T-x-y fit P'!$I$18
='P-x-y fit P'!$J$16:$J$17
='T-x-y fit P'!$J$17
='T-x-y fit P'!$J$18
='T-x-y fit P'!$C$21:$C$212
='T-x-y fit P'!$D$21:$D$212
='T-x-y fit P'!$L$21:$L$212
='T-x-y fit P'!$M$21:$M$212
='P-x-y fit P'!$I$20:$I$211
='T-x-y fit P'!$I$21:$I$212
='T-x-y Calc T'!$J$23:$J$214
='T-x-y fit P'!$A$21:$A$212
='T-x-y fit P'!$B$21:$B$212
='T-x-y fit P'!$G$21:$G$212
='T-x-y fit P'!$H$21:$H$212
='T-x-y fit P'!$J$21:$J$212
='T-x-y fit P'!$K$21:$K$212

Page 5

T-x-y Calc T

T-x-y Bubble Calc


Margules Equation
Using Modified Raoult's Law
Sheet must be unprotected to use Solver
USE THIS SPREADSHEET TO CALCULATE BUBBLE TEMPERATURES AFTER GAMMA PARAMETERS ARE OBTAINED.
ALL DATA IS ENTERED ON 'T-x-y fit P' SPREADSHEET.
Instructions:
1) data are transferred automatically from "T-x-y fit P". Note: display of zero values is suppressed in columns A, E, F.
If you wish to generate a plot using parameters from literature, enter data on Sheet "T-x-y fit P".
Note: cell references 2) Enter 1/T guesses for column J. Usually between 0.0036 (0 oC) and 0.00149 (400oC). [For 100oC, 1/T=0.0027]
in instructions are
Enter values ONLY where corresponding data is listed.
Objective Function
outdated if rows or
3) Tools... Protection... Unprotect Sheet...
1.62744947230113E-010
4) Tools... Solver ... Minimize K9. Set to adjust K23:(last K row containing data).
columns are added
or deleted.
i.e. for this demo it would be I23:I48.
Note: 1/T and log P are used for the convergence since they are approximately linearly related.
5) Protect sheet when done to avoid inadvertent changes.
6) Printing: By default, Excel will want to include all non-blank rows.
To override the default, highlight the desired print range, then choose File...PrintClick the 'Selection' radio button.
7) Plot is generated on 'T-x-y Plot'. See the INSTRUCTIONS worksheet for hints on updating the plot for new data sets.
Antoine Coefficents
Calculated
System Components
Parameters to use
A
B
C
Tsat(C)
A12
A21
(1) 2-propanol
P(mm Hg)
1.00 8.87829 2010.33 252.636
82.56
(2) water
x1

x2

1, calc

2.2707009 0.8958816
760
<---optional----->
2,calc
y1,expt
y2,expt

0
1 9.6861871
1
0.0115
0.9885 8.9162664 1.0004781
0.016
0.984 8.6367129 1.0009224
0.0365
0.9635 7.4991954 1.0047342
0.057
0.943 6.5525023 1.0113996
0.1
0.9 5.0356719 1.03428
0.1215
0.8785 4.4575979 1.0500988
0.1665
0.8335 3.523491 1.0923926
0.1895
0.8105 3.1561701 1.1187369
0.1935
0.8065 3.0984088 1.1236419
0.245
0.755 2.4851981 1.1952864
0.2835
0.7165 2.1501327 1.2590364
0.2975
0.7025 2.0480914 1.2843486
0.298
0.702 2.0446174 1.2852734
0.3835
0.6165 1.5876412 1.4638488
0.446
0.554 1.3778598 1.6180373
0.5145
0.4855 1.2235675 1.8049337
0.559
0.441 1.1533625 1.9325831
0.646
0.354 1.0639204 2.1816238
0.6605
0.3395 1.05379 2.2212886
0.6955
0.3045 1.0337823 2.3125668
0.765
0.235 1.0092779 2.4656223
0.809
0.191 1.0016884 2.5346573
0.8725
0.1275 0.9979155 2.5828045
0.9535
0.0465 0.9992412 2.5363995
1
0
1 2.4494943
0 Row 48 is the last row plotted
0 as distributed.
0 Unprotect sheet and replicate
0 or delete formulas for different
0 number of points.
0
0
0
0
0
0
0
0
0
0

0
0.163
0.2115
0.3655
0.4565
0.5015
0.512
0.5215
0.5375
0.532
0.539
0.553
0.554
0.551
0.57
0.592
0.6075
0.6255
0.6645
0.6715
0.6915
0.737
0.7745
0.834
0.9325
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

1
0.837
0.7885
0.6345
0.5435
0.4985
0.488
0.4785
0.4625
0.468
0.461
0.447
0.446
0.449
0.43
0.408
0.3925
0.3745
0.3355
0.3285
0.3085
0.263
0.2255
0.166
0.0675
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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0

2.00

8.07131

y1,calc

y2,calc

0
0.1693615
0.215918
0.3554403
0.4320875
0.511402
0.5315468
0.5543345
0.5600524
0.5607807
0.5655547
0.565922
0.565778
0.5657716
0.5655435
0.5694553
0.5808562
0.5933608
0.6318845
0.6403226
0.6632576
0.719994
0.7636557
0.8362441
0.9398156
1

1
0.8306385
0.784082
0.6445597
0.5679125
0.488598
0.4684532
0.4456655
0.4399476
0.4392193
0.4344453
0.434078
0.434222
0.4342284
0.4344565
0.4305447
0.4191438
0.4066392
0.3681155
0.3596774
0.3367424
0.280006
0.2363443
0.1637559
0.0601844
0

1730.63
Texpt

233.426
Tcalc

100.00
95.17
93.40
88.05
84.57
82.70
82.32
81.99
81.58
81.75
81.62
81.23
81.29
81.28
80.90
80.67
80.38
80.31
80.15
80.16
80.11
80.23
80.37
80.70
81.48
82.25
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00

###
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Err:518
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Err:518

Named cell ranges. See 'named ranges' in help index.


NOTE: this variable list is outdated if rows or columns
are added. Use 'InsertNamePastePaste List'
to paste current list.
_A
='P-x-y fit P'!$H$16:$H$17
_A1
='T-x-y Calc T'!$H$19
_A12
='T-x-y Calc T'!$D$20
_A2
='T-x-y Calc T'!$H$20
_A21
='T-x-y Calc T'!$E$20
_B
='P-x-y fit P'!$I$16:$I$17
_B1
='T-x-y Calc T'!$I$19
_B2
='T-x-y Calc T'!$I$20
_C
='P-x-y fit P'!$J$16:$J$17
_C1
='T-x-y Calc T'!$J$19
_C2
='T-x-y Calc T'!$J$20
_g1
='T-x-y Calc T'!$C$23:$C$214
_g2
='T-x-y Calc T'!$D$23:$D$214
_Pc
='T-x-y Calc T'!$N$23:$N$214

100.00
P1
P2
1/T
0.00267991
1,504.45
0.00271481
1,255.31
0.00272551
1,187.50
0.00276111
986.90
0.00278331
879.23
0.00280832
771.83
0.00281487
745.90
0.00282215
718.13
0.00282388
711.67
0.0028241
710.87
0.00282543
705.93
0.00282552
705.59
0.00282549
705.71
0.00282549
705.72
0.00282543
705.93
0.00282589
704.26
0.00282671
701.25
0.0028272
699.45
0.0028274
698.73
0.00282728
699.18
0.00282675
701.08
0.00282468
708.71
0.00282267
716.19
0.00281902
729.94
0.00281391
749.66
0.00281128
760.01
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sat

Page 6

Pcalc

sat

760.01
638.33
605.03
506.03
452.55
398.92
385.93
372.00
368.75
368.35
365.88
365.70
365.76
365.77
365.88
365.04
363.52
362.62
362.26
362.48
363.44
367.27
371.03
377.93
387.82
393.00
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760.01
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log(Pcalc)
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[log(Pcalc/Pexpt)]^2
###
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_Per
_Pex
_T

='P-x-y fit P'!$K$20:$K$211


='P-x-y fit P'!$I$20:$I$211
='T-x-y Calc T'!$I$23:$I$214

_Tcalc
_x1
_x2
_y1c
_y2c
P1s
P2s

='T-x-y Calc T'!$J$23:$J$214


='T-x-y Calc T'!$A$23:$A$214
='T-x-y Calc T'!$B$23:$B$214
='P-x-y fit P'!$G$20:$G$211
='P-x-y fit P'!$H$20:$H$211
='T-x-y Calc T'!$L$23:$L$214
='T-x-y Calc T'!$M$23:$M$214

T-x-y Calc T

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Page 7

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T-x-y Calc T

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T-x-y Calc T

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T-x-y Plot

T-x-y fit
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95.00

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T (oC)
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Page 10

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