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Fixing GPL header, removing postal address (rpmlint incorrect-fsf-address)
1 aw0a 1 REQUIRE "atoms.a4l";
2     (* => atoms.a4l, measures.a4l, system.a4l, basemodel.a4l *)
3     PROVIDE "components.a4l";
4     (*
5     *
6     * WARNINGS:
7     * - The contents of this file represent a physical
8     * properties database of minimal functionality. Such a
9     * database is just messy conceptually in a declarative language,
10     * so we do not apologize for the modeling style found in this
11     * file.
12     *
13     * - We, of course, would like to replace it with a small wrapper to a
14     * thermodynamic information database with a much wider range
15     * of chemical species. We are aware of no such database of
16     * significant size being placed in the public domain
17     * in source form which we can distribute to all our users.
18     *
19     * 1:
20     * Add species or new correlation coefficients as you need them.
21     * Models you create in the ASCEND IV language are Not subject to
22     * the GNU Public License (GPL) UNLESS you base those models on GNU Public
23     * Licensed ASCEND Libraries. All ASCEND libraries distributed from
24     * Carnegie Mellon are distributed under the GPL unless explicitly noted
25     * as being in the public domain in the distributed source code.
26     *
27     * In the interest of promoting research, we make an EXCEPTION to the
28     * above condition for proprietary physical property data integrated
29     * with ASCEND library models for non-commercial research purposes only.
30     *
31     * If you base a commercial application on GNU Public Licensed ASCEND IV
32     * libraries or modifications or extensions of those libraries, then the
33     * models you create must be released in source code form per the GPL.
34     *
35     * 2: If you have such a properties database to donate, please let us know.
36     * 3:
37     * If you create a wrapper to a proprietary database for use with
38     * ASCEND in a way that entangles your code with our sources, you
39     * are required under the terms of the ASCEND GPL
40     * to _give_ the wrapper code back to us and to make it otherwise
41     * available for public use. This does not require making the
42     * proprietary database public, just the interface. If releasing
43     * such an interface violates the proprietary licensing, then do not
44     * create it in an entangled fashion.
45     * 4:
46     * If you have questions about any of the above, please contact us
47     * ascend+developers@cs.cmu.edu and aw0a@cs.cmu.edu. We will consider
48     * alternative licensing arrangements on a case-by-case basis subject
49     * to keeping the lawyers and accountants on all sides happy.
50     *)
51    
52     (*
53     * components.a4l
54     * by Joseph J. Zaher and Ben Allan
55     * Part of the ASCEND Library
56     * $Date: 1998/08/10 16:03:36 $
57     * $Revision: 1.1 $
58     * $Author: ballan $
59     * $Source: /afs/cs.cmu.edu/project/ascend/Repository/models/small_components.a4l,v $
60     *
61     * This file is part of the ASCEND Modeling Library.
62     *
63     * Copyright (C) 1994 Joseph J Zaher
64     * Copyright (C) 1997 Benjamin Andrew Allan
65     *
66     * The ASCEND Modeling Library is free software; you can redistribute
67     * it and/or modify it under the terms of the GNU General Public
68     * License as published by the Free Software Foundation; either
69     * version 2 of the License, or (at your option) any later version.
70     *
71     * The ASCEND Modeling Library is distributed in hope that it
72     * will be useful, but WITHOUT ANY WARRANTY; without even the implied
73     * warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
74     * See the GNU General Public License for more details.
75     *
76     * You should have received a copy of the GNU General Public License
77 jpye 2651 * along with this program. If not, see <http://www.gnu.org/licenses/>.
78 aw0a 1 *)
79    
80     (**
81     **
82     ** C O M P O N E N T S . A 4 L
83     ** ----------------------------------------
84     **
85     ** AUTHOR: Joseph J. Zaher
86     **
87     ** DATES: 07/91 - Original code.
88     ** 02/92 - Made compatible with new set version of ASCEND.
89     ** Expanded data base, revised vapor pressure data,
90     ** and added UNIFAC group and subgroup sets with help
91     ** of Bob Huss.
92     ** 07/92 - Expanded data base with help of Kay C. Dee.
93     ** 08/92 - Replaced name attribute of each component with a
94     ** formula attribute. Component names are free to be
95     ** specified by the user.
96     ** 03/94 - Made compatible with gnu-ascend.
97     ** 08/94 - Made compatible with H,G or H,S thermo library,
98     ** and with Wilson models written by Boyd Safrit.
99     ** 02/96 - Made compatible with ASCEND IV. Ben Allan.
100     ** 01/97 - Addition OF td_component_constants by _____
101     ** 01/97 - All constants checked by Jennifer Perry
102     ** 03/97 - Added container models for data groups. BAA.
103     ** 03/98 - 99% of the code in this file should be reduced
104     ** to a call on a database.
105     **
106     **
107     ** CONTENTS: ASCEND structure for component physical property constants.
108     ** All anticipated constants which may be used by the models
109     ** of "thermodynamics.a4l" are created in a general model where
110     ** a consistent reference state (298.15{K} and 1.0{atm}) is
111     ** chosen. Specific refinements to actual chemical species are
112     ** made UNIVERSAL to ensure only one instantiation of the
113     ** constants for each component is maintained throughout a
114     ** user's simulation. A reference enthalpy and entropy is
115     ** chosen by default to be those of formation of the component
116     ** from its elements at the reference state.
117     **
118     **
119     **)
120    
121     (* Wilson pairs checked by Boyd
122     i_propanol-water
123     i_propanol-ethylene_glycol
124     ethylene_glycol-water
125     acetone-chloroform
126     acetone-benzene
127     acetone-methanol
128     methanol-water
129     benzene-chloroform
130     propadiene-propylene provided by Vince Verneulli OF Sim Sci
131     propadiene-propane provided by Vince Verneulli OF Sim Sci
132     propylene-propane provided by Vince Verneulli OF Sim Sci
133     *)
134    
135     MODEL compmodel() REFINES cmumodel();
136     METHODS
137     METHOD check_self;
138     END check_self;
139     METHOD check_all;
140     END check_all;
141     METHOD default_self;
142     END default_self;
143     METHOD default_all;
144     END default_all;
145     METHOD specify;
146     END specify;
147     METHOD scale_self;
148     END scale_self;
149     METHOD scale_all;
150     END scale_all;
151     METHOD bound_self;
152     END bound_self;
153     METHOD bound_all;
154     END bound_all;
155     END compmodel;
156    
157     UNIVERSAL MODEL UNIFAC_constants() REFINES compmodel;
158    
159     (*
160     REFERENCE:
161     The reference for the bulk of this MODEL is
162     Reid, Prausnitz & Poling, Properties of Gases and Liquids,
163     1986, Chapter 8.
164     DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER:
165     The authors of ASCEND and Carnegie Mellon University make
166     absolutely NO WARRANTY about the accuracy of this transcription
167     of the RPP data or of the original data itself, nor do they
168     provide any guarantee that the data here represented is
169     suitable for any purpose academic or commercial.
170     DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER:
171     NOTES:
172     The frontiers of group contribution methods have moved on
173     well past the data presented here and the correlations
174     it is used with. Users with a penchant for thermodynamic
175     detail are advised to MODEL their own favorite correlations.
176     COMMON USAGE:
177     The local name of every instance of this MODEL
178     (since it is UNIVERSAL) should always be uc.
179     In the comments that follow, we will use uc where applicable.
180     ANNOTATED:
181     10/96 Ben Allan
182     *)
183    
184    
185     groups IS_A set OF integer_constant;
186     (*
187     * uc.groups is the main group list (the ones we support) from RPP
188     * Table 8.21 column 1.
189     * Currently supported groups are (in RPP Main index)
190     * 1,2,3,4,5,6,7,8,9,23, and 11
191     *)
192     groups :== [1..47];
193     (* fix a 10, 12-22, 24-47
194     *)
195    
196     (*
197     * uc.sub[i IN uc.groups] is the set of secondary groups for the ith
198     * main group. This is the column 2 data of RPP Table 8-21.
199     * The UNION of uc.sub[i] is uc.subgroups, basically the set of
200     * rows in Table 8-21 that we have entered.
201     *)
202     sub[groups] IS_A set OF symbol_constant;
203     sub[1] :== ['CH3', 'CH2', 'CH', 'C'];
204     sub[2] :== ['CH2=CH', 'CH=CH', 'CH2=C', 'CH=C', 'C=C'];
205     sub[3] :== ['ACH', 'AC'];
206     sub[4] :== ['ACCH3', 'ACCH2', 'ACCH'];
207     sub[5] :== ['OH'];
208     sub[6] :== ['CH3OH'];
209     sub[7] :== ['H2O'];
210     sub[8] :== ['ACOH'];
211     sub[9] :== ['CH3CO', 'CH2CO'];
212     sub[10] :== ['CHO'];
213     sub[11] :== ['CH3COO', 'CH2COO'];
214     sub[12] :== ['HCOO'];
215     sub[13] :== ['CH3O', 'CH2O', 'CH-O', 'FCH2O'];
216     sub[14] :== ['CH3NH2', 'CH2NH2', 'CHNH2'];
217     sub[15] :== ['CH3NH', 'CH2NH', 'CHNH'];
218     sub[16] :== ['CH3N', 'CH2N'];
219     sub[17] :== ['ACNH2'];
220     sub[18] :== ['C5H5N', 'C5H4N', 'C5H3N'];
221     sub[19] :== ['CH3CN', 'CH2CN'];
222     sub[20] :== ['COOH', 'HCOOH'];
223     sub[21] :== ['CH2Cl', 'CHCl', 'CCl'];
224     sub[22] :== ['CH2Cl2', 'CHCl2', 'CCl2'];
225     sub[23] :== ['CHCl3', 'CCl3'];
226     sub[24] :== ['CCl4'];
227     sub[25] :== ['ACCl'];
228     sub[26] :== ['CH3NO2', 'CH2NO2', 'CHNO2'];
229     sub[27] :== ['ACNO2'];
230     sub[28] :== ['CS2'];
231     sub[29] :== ['CH3SH', 'CH2SH'];
232     sub[30] :== ['Furfural'];
233     sub[31] :== ['(CH2OH)2'];
234     sub[32] :== ['I'];
235     sub[33] :== ['Br'];
236     sub[34] :== ['CH-trip-C', 'C-trip-C'];
237     sub[35] :== ['Me2SO'];
238     sub[36] :== ['Acry'];
239     sub[37] :== ['Cl(C=C)'];
240     sub[38] :== ['ACF'];
241     sub[39] :== ['DMF-1', 'DMF-2'];
242     sub[40] :== ['CF3', 'CF2', 'CF'];
243     sub[41] :== ['COO'];
244     sub[42] :== ['SiH3', 'SiH2', 'SiH', 'Si'];
245     sub[43] :== ['SiH2O', 'SiHO', 'SiO'];
246     sub[44] :== ['NMP'];
247     sub[45] :== ['tert-N'];
248     sub[46] :== ['Amide'];
249     sub[47] :== ['CON(Me)2', 'CONMeCH2', 'CON(CH2)2'];
250     subgroups IS_A set OF symbol_constant;
251    
252     (*
253     * uc. subgroups is the total list of secondary groups we accomodate.
254     *)
255     subgroups :== UNION[sub[i] | i IN groups];
256     group[subgroups] IS_A integer_constant;
257     (*
258     * Next we have a horribly named array, group, that lets us look up the
259     * main group given a particular subgroup. So, for example,
260     * if we want to know the main group of 'CHCl3', then
261     * group['CHCl3'] will give it to us: 'CCl3'.
262     * Note, then, that the assignments which follow in most
263     * cases expand to have several left-hand-sides.
264     *)
265     FOR i IN groups CREATE
266     group[sub[i]] :== i;
267     END FOR;
268    
269     a[groups][groups] "binary group interaction parameters" IS_A UNIFAC_a;
270     (*
271     * Now we have uc.a[m][n], a portion of RPP Table 8-22, the main group
272     * interaction matrix which is asymmetric and in principle
273     * dense but in our practice rather sparse.
274     * Adding a main group to this MODEL means adding a row and
275     * column to uc.a, which is a non-trivial exercise until we
276     * get a proper tabular assignment syntax implemented.
277     * Note that such an syntax has been completely scoped but
278     * we've just not yet got round to implementation.
279     * When we do implement, this will be the first test MODEL.
280     * a[i][j] should have i and j being integer_constant!
281     *)
282    
283     (* we would like the ascend TABLE syntax or a database
284     * external lookup to handle this data entry.
285     *)
286     (* row 1 *)
287     a[1][1] :== 0.0 {K};
288     a[1][2] :== 86.020 {K};
289     a[1][3] :== 61.13 {K};
290     a[1][4] :== 76.50 {K};
291     a[1][5] :== 986.5 {K};
292     a[1][6] :== 697.2 {K};
293     a[1][7] :== 1318.0 {K};
294     a[1][8] :== 1333.0 {K};
295     a[1][9] :== 476.4 {K};
296     a[1][10] :== 677 {K};
297     a[1][11] :== 232.1 {K};
298     a[1][12] :== 741.4 {K};
299     a[1][13] :== 251.5 {K};
300     a[1][14] :== 391.5 {K};
301     a[1][15] :== 225.7 {K};
302     a[1][16] :== 206.6 {K};
303     a[1][17] :== 920.7 {K};
304     a[1][18] :== 287.7 {K};
305     a[1][19] :== 597 {K};
306     a[1][20] :== 663.5 {K};
307     a[1][21] :== 35.93 {K};
308     a[1][22] :== 53.76 {K};
309     a[1][23] :== 24.90 {K};
310     a[1][24] :== 104.3 {K};
311     a[1][25] :== 321.5 {K};
312     a[1][26] :== 661.5 {K};
313     a[1][27] :== 543 {K};
314     a[1][28] :== 153.6 {K};
315     a[1][29] :== 184.4 {K};
316     a[1][30] :== 354.5 {K};
317     a[1][31] :== 3025 {K};
318     a[1][32] :== 335.8 {K};
319     a[1][33] :== 479.5 {K};
320     a[1][34] :== 298.9 {K};
321     a[1][35] :== 526.5 {K};
322     a[1][36] :== 689 {K};
323     a[1][37] :== -4.189 {K};
324     a[1][38] :== 125.8 {K};
325     a[1][39] :== 485.3 {K};
326     a[1][40] :== -2.859 {K};
327     a[1][41] :== 387.1 {K};
328     a[1][42] :== -450.4 {K};
329     a[1][43] :== 252.7 {K};
330     a[1][44] :== 13.89 {K};
331     a[1][45] :== 383 {K};
332     a[1][46] :== -1380 {K};
333     a[1][47] :== 729 {K};
334    
335     (* row 2 *) (* the ?!? numbers in group 2 are bogus. probably entered by ka.
336     * they have been replaced. part looks like a paste of row 4.
337     *)
338     (* old:
339     a[2][1] :== 2520 {K}; (*?!?*)
340     a[2][2] :== 0.0 {K}; (*?!?*)
341     a[2][3] :== 340.7 {K}; (*?!?*)
342     a[2][4] :== 4102 {K}; (*?!?*)
343     a[2][5] :== 693.9 {K}; (*?!?*)
344     a[2][6] :== 1509.0 {K}; (*?!?*)
345     a[2][7] :== 634.2 {K}; (*?!?*)
346     a[2][8] :== 547.4 {K}; (*?!?*)
347     a[2][9] :== 524.5 {K}; (*?!?*)
348     a[2][11] :== 71.23 {K}; (*?!?*)
349     END old *)
350     a[2][1] :== -35.36 {K};
351     a[2][2] :== 0.0 {K};
352     a[2][3] :== 38.81 {K};
353     a[2][4] :== 74.15 {K};
354     a[2][5] :== 524.1 {K};
355     a[2][6] :== 787.6 {K};
356     a[2][7] :== 270.6 {K};
357     a[2][8] :== 526.1 {K};
358     a[2][9] :== 182.6 {K};
359     a[2][10] :== 448.8 {K};
360     a[2][11] :== 37.85 {K};
361     a[2][12] :== 449.1 {K};
362     a[2][13] :== 214.5 {K};
363     a[2][14] :== 240.9 {K};
364     a[2][15] :== 163.9 {K};
365     a[2][16] :== 61.11 {K};
366     a[2][17] :== 749.3 {K};
367     a[2][18] :== 0 {K};
368     a[2][19] :== 336.9 {K};
369     a[2][20] :== 318.9 {K};
370     a[2][21] :== 204.6 {K};
371     a[2][22] :== 5.892 {K};
372     (* old
373     a[2][23] :== 4584.0 {K}; (*?!?*)
374     END old *)
375    
376     a[2][23] :== -13.99 {K};
377     a[2][24] :== -109.7 {K};
378     a[2][25] :== 393.1 {K};
379     a[2][26] :== 357.5 {K};
380     a[2][27] :== 0 {K};
381     a[2][28] :== 76.3 {K};
382     a[2][29] :== 0 {K};
383     a[2][30] :== 0 {K};
384     a[2][31] :== 0 {K};
385     a[2][32] :== 0 {K};
386     a[2][33] :== 0 {K};
387     a[2][34] :== 31.14 {K};
388     a[2][35] :== -137.4 {K};
389     a[2][36] :== 0 {K};
390     a[2][37] :== -66.46 {K};
391     a[2][38] :== 0 {K};
392     a[2][39] :== -70.45 {K};
393     a[2][40] :== 0 {K};
394     a[2][41] :== 48.33 {K};
395     a[2][42] :== 0 {K};
396     a[2][43] :== 0 {K};
397     a[2][44] :== 0 {K};
398     a[2][45] :== 0 {K};
399     a[2][46] :== 2340 {K};
400     a[2][47] :== 0 {K};
401     (* row 3 *)
402     a[3][1] :== -11.12 {K};
403     a[3][2] :== 3.446 {K};
404     a[3][3] :== 0.0 {K};
405     a[3][4] :== 167.0 {K};
406     a[3][5] :== 636.10 {K};
407     a[3][6] :== 637.3 {K};
408     a[3][7] :== 903.8 {K};
409     a[3][8] :== 1329.0 {K};
410     a[3][9] :== 25.77 {K};
411     a[3][11] :== 5.994 {K};
412     a[3][10] :== 347.3 {K};
413     a[3][12] :== -92.55 {K};
414     a[3][13] :== 32.14 {K};
415     a[3][14] :== 161.7 {K};
416     a[3][15] :== 122.8 {K};
417     a[3][16] :== 90.49 {K};
418     a[3][17] :== 648.2 {K};
419     a[3][18] :== -4.449 {K};
420     a[3][19] :== 212.5 {K};
421     a[3][20] :== 537.4 {K};
422     a[3][21] :== -18.81 {K};
423     a[3][22] :== -144.4 {K};
424     a[3][23] :== -231.9 {K};
425     a[3][24] :== 3 {K};
426     a[3][25] :== 538.2 {K};
427     a[3][26] :== 168 {K};
428     a[3][27] :== 194.9 {K};
429     a[3][28] :== 52.07 {K};
430     a[3][29] :== -10.43 {K};
431     a[3][30] :== -64.69 {K};
432     a[3][31] :== 210.4 {K};
433     a[3][32] :== 113.3 {K};
434     a[3][33] :== -13.59 {K};
435     a[3][34] :== 0 {K};
436     a[3][35] :== 169.9 {K};
437     a[3][36] :== 0 {K};
438     a[3][37] :== -259.1 {K};
439     a[3][38] :== 389.3 {K};
440     a[3][39] :== 245.6 {K};
441     a[3][40] :== 0 {K};
442     a[3][41] :== 103.5 {K};
443     a[3][42] :== -432.3 {K};
444     a[3][43] :== 238.9 {K};
445     a[3][44] :== -23.88 {K};
446     a[3][45] :== 109 {K};
447     a[3][46] :== 75.9 {K};
448     a[3][47] :== 784 {K};
449     (* row 4 *)
450     a[4][1] :== -69.70 {K};
451     a[4][2] :== -113.6 {K};
452     a[4][3] :== -146.80 {K};
453     a[4][4] :== 0.0 {K};
454     a[4][5] :== 803.20 {K};
455     a[4][6] :== 603.2 {K};
456     a[4][7] :== 5695.00 {K};
457     a[4][8] :== 547.4 {K};
458     a[4][9] :== -52.10 {K};
459     a[4][10] :== 586.6 {K};
460     a[4][11] :== 5688.0 {K};
461    
462     a[4][12] :== 115.2 {K};
463     a[4][13] :== 213.1 {K};
464     a[4][14] :== 0 {K};
465     a[4][15] :== 49.29 {K};
466     a[4][16] :== 23.5 {K};
467     a[4][17] :== 664.2 {K};
468     a[4][18] :== 52.8 {K};
469     a[4][19] :== 6096 {K};
470     a[4][20] :== 603.8 {K};
471     a[4][21] :== -114.1 {K};
472     a[4][22] :== -111 {K};
473     a[4][23] :== -12.14 {K};
474     a[4][24] :== -141.3 {K};
475     a[4][25] :== -126.9 {K};
476     a[4][26] :== 3629 {K};
477     a[4][27] :== 4448 {K};
478     a[4][28] :== -9.451 {K};
479     a[4][29] :== 0 {K};
480     a[4][30] :== -20.36 {K};
481     a[4][31] :== 4975 {K};
482     a[4][32] :== 0 {K};
483     a[4][33] :== -171.3 {K};
484     a[4][34] :== 0 {K};
485     a[4][35] :== 4284 {K};
486     a[4][36] :== 0 {K};
487     a[4][37] :== 0 {K};
488     a[4][38] :== 101.4 {K};
489     a[4][39] :== 5629 {K};
490     a[4][40] :== 0 {K};
491     a[4][41] :== 69.26 {K};
492     a[4][42] :== 683.3 {K};
493     a[4][43] :== 355.5 {K};
494     a[4][44] :== 6.214 {K};
495     a[4][45] :== 1320 {K};
496     a[4][46] :== 482 {K};
497     a[4][47] :== 386 {K};
498     (* row 5 *)
499     a[5][1] :== 156.40 {K};
500     a[5][2] :== 475.000 {K};
501     a[5][3] :== 89.60 {K};
502     a[5][4] :== 25.82 {K};
503     a[5][5] :== 0.0 {K};
504     a[5][6] :== -137.1 {K};
505     a[5][7] :== 353.50 {K};
506     a[5][8] :== -259.7 {K};
507     a[5][9] :== 84.0 {K};
508     a[5][10] :== 441.8 {K};
509     a[5][11] :== 101.1 {K};
510     a[5][12] :== 193.1 {K};
511     a[5][13] :== 28.06 {K};
512     a[5][14] :== 83.02 {K};
513     a[5][15] :== 42.7 {K};
514     a[5][16] :== -323 {K};
515     a[5][17] :== -52.39 {K};
516     a[5][18] :== 170 {K};
517     a[5][19] :== 6.712 {K};
518     a[5][20] :== 199 {K};
519     a[5][21] :== 75.62 {K};
520     a[5][22] :== -112.1 {K};
521     a[5][23] :== -98.12 {K};
522     a[5][24] :== 143.1 {K};
523     a[5][25] :== 287.8 {K};
524     a[5][26] :== 256.5 {K};
525     a[5][27] :== 157.1 {K};
526     a[5][28] :== 477 {K};
527     a[5][29] :== 147.5 {K};
528     a[5][30] :== -120.5 {K};
529     a[5][31] :== -318.9 {K};
530     a[5][32] :== 313.5 {K};
531     a[5][33] :== 133.4 {K};
532     a[5][34] :== 0 {K};
533     a[5][35] :== -202.1 {K};
534     a[5][36] :== 0 {K};
535     a[5][37] :== 225.8 {K};
536     a[5][38] :== 44.78 {K};
537     a[5][39] :== -143.9 {K};
538     a[5][40] :== 0 {K};
539     a[5][41] :== 190.3 {K};
540     a[5][42] :== -817.7 {K};
541     a[5][43] :== 202.7 {K};
542     a[5][44] :== 796.9 {K};
543     a[5][45] :== 0 {K};
544     a[5][46] :== 0 {K};
545     a[5][47] :== 0 {K};
546     (* row 6 *)
547     a[6][1] :== 16.51 {K};
548     a[6][2] :== -12.520 {K};
549     a[6][3] :== -50.00 {K};
550     a[6][4] :== -44.50 {K};
551     a[6][5] :== 249.1 {K};
552     a[6][6] :== 0.0 {K};
553     a[6][7] :== -181.0 {K};
554     a[6][8] :== -101.7 {K};
555     a[6][9] :== 23.39 {K};
556     a[6][10] :== 306.4 {K};
557     a[6][11] :== -10.72 {K};
558     a[6][12] :== 193.4 {K};
559     a[6][13] :== -128.6 {K};
560     a[6][14] :== 359.3 {K};
561     a[6][15] :== 266 {K};
562     a[6][16] :== 53.9 {K};
563     a[6][17] :== 489.7 {K};
564     a[6][18] :== 580.5 {K};
565     a[6][19] :== 36.23 {K};
566     a[6][20] :== -289.5 {K};
567     a[6][21] :== -38.32 {K};
568     a[6][22] :== -102.5 {K};
569     a[6][23] :== -139.4 {K};
570     a[6][24] :== -67.8 {K};
571     a[6][25] :== 17.12 {K};
572     a[6][26] :== 75.14 {K};
573     a[6][27] :== 0 {K};
574     a[6][28] :== -31.09 {K};
575     a[6][29] :== 37.84 {K};
576     a[6][30] :== 0 {K};
577     a[6][31] :== 0 {K};
578     a[6][32] :== 0 {K};
579     a[6][33] :== 106.3 {K};
580     a[6][34] :== 0 {K};
581     a[6][35] :== -399.3 {K};
582     a[6][36] :== 0 {K};
583     a[6][37] :== 33.47 {K};
584     a[6][38] :== -48.25 {K};
585     a[6][39] :== -172.4 {K};
586     a[6][40] :== 0 {K};
587     a[6][41] :== 165.7 {K};
588     a[6][42] :== 0 {K};
589     a[6][43] :== 0 {K};
590     a[6][44] :== 0 {K};
591     a[6][45] :== 214 {K};
592     a[6][46] :== 0 {K};
593     a[6][47] :== 0 {K};
594     (* row 7 *)
595     a[7][1] :== 300.00 {K};
596     a[7][2] :== 496.100 {K};
597     a[7][3] :== 362.30 {K};
598     a[7][4] :== 377.60 {K};
599     a[7][5] :== -229.10 {K};
600     a[7][6] :== 289.6 {K};
601     a[7][7] :== 0.0 {K};
602     a[7][8] :== 324.5 {K};
603     a[7][9] :== -195.40 {K};
604     a[7][10] :== -257.3 {K};
605     (* a[7][11] :== 14.42 {K}; ?!?*)
606     a[7][11] :== 72.87 {K};
607     a[7][12] :== 0 {K};
608     a[7][13] :== 540.5 {K};
609     a[7][14] :== 48.89 {K};
610     a[7][15] :== 168 {K};
611     a[7][16] :== 304 {K};
612     a[7][17] :== -59.29 {K};
613     a[7][18] :== 459 {K};
614     a[7][19] :== 112.6 {K};
615     a[7][20] :== -14.09 {K};
616     a[7][21] :== 325.4 {K};
617     a[7][22] :== 370.4 {K};
618     a[7][23] :== 353.7 {K};
619     a[7][24] :== 497.5 {K};
620     a[7][25] :== 678.2 {K};
621     a[7][26] :== 220.6 {K};
622     a[7][27] :== 399.5 {K};
623     a[7][28] :== 887.1 {K};
624     a[7][29] :== 0 {K};
625     a[7][30] :== 188 {K};
626     a[7][31] :== 13.53 {K};
627     a[7][32] :== 0 {K};
628     a[7][33] :== 0 {K};
629     a[7][34] :== 0 {K};
630     a[7][35] :== -139 {K};
631     a[7][36] :== 160.8 {K};
632     a[7][37] :== 0 {K};
633     a[7][38] :== 0 {K};
634     a[7][39] :== 319 {K};
635     a[7][40] :== 0 {K};
636     a[7][41] :== -197.5 {K};
637     a[7][42] :== 0 {K};
638     a[7][43] :== 0 {K};
639     a[7][44] :== 832.2 {K};
640     a[7][45] :== 365 {K};
641     a[7][46] :== 0 {K};
642     a[7][47] :== 0 {K};
643     (* row 8 *)
644     a[8][1] :== 275.8 {K};
645     a[8][2] :== 217.5 {K};
646     a[8][3] :== 25.34 {K};
647     a[8][4] :== 244.2 {K};
648     a[8][5] :== -451.6 {K};
649     a[8][6] :== -265.2 {K};
650     a[8][7] :== -601.8 {K};
651     a[8][8] :== 0.0 {K};
652     a[8][9] :== -356.1 {K};
653     a[8][10] :== 0 {K};
654     a[8][11] :== -449.4 {K};
655     a[8][12] :== 0 {K};
656     a[8][13] :== 0 {K};
657     a[8][14] :== 0 {K};
658     a[8][15] :== 0 {K};
659     a[8][16] :== 0 {K};
660     a[8][17] :== 119.9 {K};
661     a[8][18] :== -305.5 {K};
662     a[8][19] :== 0 {K};
663     a[8][20] :== 0 {K};
664     a[8][21] :== 0 {K};
665     a[8][22] :== 0 {K};
666     a[8][23] :== 0.0 {K};
667     a[8][24] :== 1827 {K};
668     a[8][25] :== 0 {K};
669     a[8][26] :== 0 {K};
670     a[8][27] :== 0 {K};
671     a[8][28] :== 0 {K};
672     a[8][29] :== 0 {K};
673     a[8][30] :== 0 {K};
674     a[8][31] :== -687.1 {K};
675     a[8][32] :== 0 {K};
676     a[8][33] :== 0 {K};
677     a[8][34] :== 0 {K};
678     a[8][35] :== 0 {K};
679     a[8][36] :== 0 {K};
680     a[8][37] :== 0 {K};
681     a[8][38] :== 0 {K};
682     a[8][39] :== 0 {K};
683     a[8][40] :== 0 {K};
684     a[8][41] :== -494.2 {K};
685     (* a[8][42] :== undefined in book. *)
686     a[8][43] :== 0 {K};
687     a[8][44] :== 0 {K};
688     a[8][45] :== 0 {K};
689     a[8][46] :== 0 {K};
690     a[8][47] :== 0 {K};
691     (* row 9 *)
692     a[9][1] :== 26.76 {K};
693     a[9][2] :== 42.920 {K};
694     a[9][3] :== 140.10 {K};
695     a[9][4] :== 365.80 {K};
696     a[9][5] :== 164.5 {K};
697     a[9][6] :== 108.7 {K};
698     a[9][7] :== 472.5 {K};
699     a[9][8] :== -133.1 {K};
700     a[9][9] :== 0.0 {K};
701     a[9][10] :== -37.36 {K};
702     a[9][11] :== -213.7 {K};
703     a[9][12] :== -38.47 {K};
704     a[9][13] :== -103.6 {K};
705     a[9][14] :== 0 {K};
706     a[9][15] :== 0 {K};
707     a[9][16] :== -169 {K};
708     a[9][17] :== 6201 {K};
709     a[9][18] :== 165.1 {K};
710     a[9][19] :== 481.7 {K};
711     a[9][20] :== 669.4 {K};
712     a[9][21] :== -191.7 {K};
713     a[9][22] :== -284 {K};
714     a[9][23] :== -354.6 {K};
715     a[9][24] :== -39.2 {K};
716     a[9][25] :== 174.5 {K};
717     a[9][26] :== 137.5 {K};
718     a[9][27] :== 0 {K};
719     a[9][28] :== 216.1 {K};
720     a[9][29] :== -46.28 {K};
721     a[9][30] :== -163.7 {K};
722     a[9][31] :== 0 {K};
723     a[9][32] :== 53.59 {K};
724     a[9][33] :== 245.2 {K};
725     a[9][34] :== -246.2 {K};
726     a[9][35] :== -44.58 {K};
727     a[9][36] :== 0 {K};
728     a[9][37] :== -34.57 {K};
729     a[9][38] :== 0 {K};
730     a[9][39] :== -61.7 {K};
731     a[9][40] :== 0 {K};
732     a[9][41] :== -18.8 {K};
733     a[9][42] :== 0 {K};
734     a[9][43] :== 0 {K};
735     a[9][44] :== 0 {K};
736     a[9][45] :== 135 {K};
737     a[9][46] :== -1680 {K};
738     a[9][47] :== -58 {K};
739     (* row 10 *)
740     a[10][1] :== 505.7 {K};
741     a[10][2] :== 56.3 {K};
742     a[10][3] :== 23.39 {K};
743     a[10][4] :== 106.6 {K};
744     a[10][5] :== -404.8 {K};
745     a[10][6] :== -340.2 {K};
746     a[10][7] :== 232.7 {K};
747     a[10][8] :== 0 {K};
748     a[10][9] :== 128 {K};
749     a[10][10] :== 0 {K};
750     a[10][11] :== -110.3 {K};
751     a[10][12] :== 11.31 {K};
752     a[10][13] :== 304.1 {K};
753     a[10][14] :== 0 {K};
754     a[10][15] :== 0 {K};
755     a[10][16] :== 0 {K};
756     a[10][17] :== 0 {K};
757     a[10][18] :== 0 {K};
758     a[10][19] :== 0 {K};
759     a[10][20] :== 0 {K};
760     a[10][21] :== 751.9 {K};
761     a[10][22] :== 0 {K};
762     a[10][23] :== -483.7 {K};
763     a[10][24] :== 0 {K};
764     a[10][25] :== 0 {K};
765     a[10][26] :== 0 {K};
766     a[10][27] :== 0 {K};
767     a[10][28] :== 0 {K};
768     a[10][29] :== 0 {K};
769     a[10][30] :== 0 {K};
770     a[10][31] :== 0 {K};
771     a[10][32] :== 0 {K};
772     a[10][33] :== 0 {K};
773     a[10][34] :== 0 {K};
774     a[10][35] :== 0 {K};
775     a[10][36] :== 0 {K};
776     a[10][37] :== 0 {K};
777     a[10][38] :== 0 {K};
778     a[10][39] :== 0 {K};
779     a[10][40] :== 0 {K};
780     a[10][41] :== 0 {K};
781     a[10][42] :== 0 {K};
782     a[10][43] :== 0 {K};
783     a[10][44] :== 0 {K};
784     a[10][45] :== -7.18 {K};
785     a[10][46] :== 333 {K};
786     a[10][47] :== 6810 {K};
787     (* row 11 *)
788     a[11][1] :== 114.8 {K};
789     a[11][2] :== 132.1 {K};
790     a[11][3] :== 85.84 {K};
791     a[11][4] :== -170.0 {K};
792     a[11][5] :== 245.4 {K};
793     a[11][6] :== 249.6 {K};
794     a[11][7] :== 10000.0 {K};
795     a[11][8] :== -36.72 {K};
796     a[11][9] :== 372.2 {K};
797     a[11][10] :== 185.1 {K};
798     a[11][11] :== 0.0 {K};
799     a[11][12] :== 372.9 {K};
800     a[11][13] :== -235.7 {K};
801     a[11][14] :== 0 {K};
802     a[11][15] :== -73.5 {K};
803     a[11][16] :== 0 {K};
804     a[11][17] :== 475.5 {K};
805     a[11][18] :== 0 {K};
806     a[11][19] :== 494.6 {K};
807     a[11][20] :== 660.2 {K};
808     a[11][21] :== -34.74 {K};
809     a[11][22] :== 108.9 {K};
810     a[11][23] :== -209.7 {K};
811     a[11][24] :== 54.47 {K};
812     a[11][25] :== 629 {K};
813     a[11][26] :== -81.13 {K};
814     a[11][27] :== 0 {K};
815     a[11][28] :== 183 {K};
816     a[11][29] :== 0 {K};
817     a[11][30] :== 202.3 {K};
818     a[11][31] :== -101.7 {K};
819     a[11][32] :== 148.3 {K};
820     a[11][33] :== 18.88 {K};
821     a[11][34] :== 0 {K};
822     a[11][35] :== 52.08 {K};
823     a[11][36] :== -28.61 {K};
824     a[11][37] :== -83.3 {K};
825     a[11][38] :== 0 {K};
826     a[11][39] :== 0 {K};
827     a[11][40] :== 0 {K};
828     a[11][41] :== 560.2 {K};
829     a[11][42] :== 0 {K};
830     a[11][43] :== 0 {K};
831     a[11][44] :== 0 {K};
832     a[11][45] :== -54.6 {K};
833     a[11][46] :== 0 {K};
834     a[11][47] :== 6960 {K};
835     (* row 12 *)
836     a[12][1] :== 90.49 {K};
837     a[12][2] :== -62.55 {K};
838     a[12][3] :== 1967 {K};
839     a[12][4] :== 2347 {K};
840     a[12][5] :== 191.2 {K};
841     a[12][6] :== 155.7 {K};
842     a[12][7] :== 0 {K};
843     a[12][8] :== 0 {K};
844     a[12][9] :== 70.42 {K};
845     a[12][10] :== 35.35 {K};
846     a[12][11] :== -261.1 {K};
847     a[12][12] :== 0 {K};
848     a[12][13] :== 0 {K};
849     a[12][14] :== 0 {K};
850     a[12][15] :== 0 {K};
851     a[12][16] :== 0 {K};
852     a[12][17] :== 0 {K};
853     a[12][18] :== 0 {K};
854     a[12][19] :== 0 {K};
855     a[12][20] :== -356.3 {K};
856     a[12][21] :== 0 {K};
857     a[12][22] :== 0 {K};
858     a[12][23] :== -287.2 {K};
859     a[12][24] :== 36.84 {K};
860     a[12][25] :== 0 {K};
861     a[12][26] :== 0 {K};
862     a[12][27] :== 0 {K};
863     a[12][28] :== 0 {K};
864     a[12][29] :== 4.339 {K};
865     a[12][30] :== 0 {K};
866     a[12][31] :== 0 {K};
867     a[12][32] :== 0 {K};
868     a[12][33] :== 0 {K};
869     a[12][34] :== 0 {K};
870     a[12][35] :== 0 {K};
871     a[12][36] :== 0 {K};
872     a[12][37] :== 0 {K};
873     a[12][38] :== 0 {K};
874     a[12][39] :== 0 {K};
875     a[12][40] :== 0 {K};
876     a[12][41] :== -70.24 {K};
877     a[12][42] :== 0 {K};
878     a[12][43] :== 0 {K};
879     a[12][44] :== 0 {K};
880     a[12][45] :== 0 {K};
881     a[12][46] :== 0 {K};
882     a[12][47] :== 0 {K};
883     (* row 13 *)
884     a[13][1] :== 83.36 {K};
885     a[13][2] :== 26.51 {K};
886     a[13][3] :== 52.13 {K};
887     a[13][4] :== 65.69 {K};
888     a[13][5] :== 237.7 {K};
889     a[13][6] :== 238.4 {K};
890     a[13][7] :== -314.7 {K};
891     a[13][8] :== 0 {K};
892     a[13][9] :== 191.1 {K};
893     a[13][10] :== -7.838 {K};
894     a[13][11] :== 461.3 {K};
895     a[13][12] :== 0 {K};
896     a[13][13] :== 0 {K};
897     a[13][14] :== 0 {K};
898     a[13][15] :== 141.7 {K};
899     a[13][16] :== 0 {K};
900     a[13][17] :== 0 {K};
901     a[13][18] :== 0 {K};
902     a[13][19] :== -18.51 {K};
903     a[13][20] :== 664.6 {K};
904     a[13][21] :== 301.1 {K};
905     a[13][22] :== 137.8 {K};
906     a[13][23] :== -154.3 {K};
907     a[13][24] :== 47.67 {K};
908     a[13][25] :== 66.15 {K};
909     a[13][26] :== 95.18 {K};
910     a[13][27] :== 0 {K};
911     a[13][28] :== 140.9 {K};
912     a[13][29] :== -8.538 {K};
913     a[13][30] :== 0 {K};
914     a[13][31] :== -20.11 {K};
915     a[13][32] :== -149.5 {K};
916     a[13][33] :== -202.3 {K};
917     a[13][34] :== 0 {K};
918     a[13][35] :== 172.1 {K};
919     a[13][36] :== 0 {K};
920     a[13][37] :== 240.2 {K};
921     a[13][38] :== -273.9 {K};
922     a[13][39] :== 254.8 {K};
923     a[13][40] :== 0 {K};
924     a[13][41] :== 417 {K};
925     a[13][42] :== 0 {K};
926     a[13][43] :== 0 {K};
927     a[13][44] :== 0 {K};
928     a[13][45] :== 5780 {K};
929     a[13][46] :== 131 {K};
930     a[13][47] :== 0 {K};
931     (* row 14 *)
932     a[14][1] :== -30.48 {K};
933     a[14][2] :== 1.163 {K};
934     a[14][3] :== -44.850 {K};
935     a[14][4] :== 0 {K};
936     a[14][5] :== -164 {K};
937     a[14][6] :== -481.7 {K};
938     a[14][7] :== -330.4 {K};
939     a[14][8] :== 0 {K};
940     a[14][9] :== 0 {K};
941     a[14][10] :== 0 {K};
942     a[14][11] :== 0 {K};
943     a[14][12] :== 0 {K};
944     a[14][13] :== 0 {K};
945     a[14][14] :== 0 {K};
946     a[14][15] :== 63.72 {K};
947     a[14][16] :== -41.11 {K};
948     a[14][17] :== -200.7 {K};
949     a[14][18] :== 0 {K};
950     a[14][19] :== 0 {K};
951     a[14][20] :== 0 {K};
952     a[14][21] :== 0 {K};
953     a[14][22] :== 0 {K};
954     a[14][23] :== 0 {K};
955     a[14][24] :== -99.81 {K};
956     a[14][25] :== 68.81 {K};
957     a[14][26] :== 0 {K};
958     a[14][27] :== 0 {K};
959     a[14][28] :== 0 {K};
960     a[14][29] :== -70.14 {K};
961     a[14][30] :== 0 {K};
962     a[14][31] :== 0 {K};
963     a[14][32] :== 0 {K};
964     a[14][33] :== 0 {K};
965     a[14][34] :== 0 {K};
966     a[14][35] :== 0 {K};
967     a[14][36] :== 0 {K};
968     a[14][37] :== 0 {K};
969     a[14][38] :== 0 {K};
970     a[14][39] :== 0 {K};
971     a[14][40] :== 0 {K};
972     a[14][41] :== 0 {K};
973     a[14][42] :== 0 {K};
974     a[14][43] :== 0 {K};
975     a[14][44] :== 0 {K};
976     a[14][45] :== 0 {K};
977     a[14][46] :== 0 {K};
978     a[14][47] :== 0 {K};
979     (* row 15 *)
980     a[15][1] :== 65.33 {K};
981     a[15][2] :== -28.7 {K};
982     a[15][3] :== -22.31 {K};
983     a[15][4] :== 223 {K};
984     a[15][5] :== -150 {K};
985     a[15][6] :== -500 {K};
986     a[15][7] :== -448.2 {K};
987     a[15][8] :== 0 {K};
988     a[15][9] :== 0 {K};
989     a[15][10] :== 0 {K};
990     a[15][11] :== 136 {K};
991     a[15][12] :== 0 {K};
992     a[15][13] :== -49.3 {K};
993     a[15][14] :== 108.8 {K};
994     a[15][15] :== 0 {K};
995     a[15][16] :== -189.2 {K};
996     a[15][17] :== 0 {K};
997     a[15][18] :== 0 {K};
998     a[15][19] :== 0 {K};
999     a[15][20] :== 0 {K};
1000     a[15][21] :== 0 {K};
1001     a[15][22] :== 0 {K};
1002     a[15][23] :== 0 {K};
1003     a[15][24] :== 71.23 {K};
1004     a[15][25] :== 4350 {K};
1005     a[15][26] :== 0 {K};
1006     a[15][27] :== 0 {K};
1007     a[15][28] :== 0 {K};
1008     a[15][29] :== 0 {K};
1009     a[15][30] :== 0 {K};
1010     a[15][31] :== 0 {K};
1011     a[15][32] :== 0 {K};
1012     a[15][33] :== 0 {K};
1013     a[15][34] :== 0 {K};
1014     a[15][35] :== 0 {K};
1015     a[15][36] :== 0 {K};
1016     a[15][37] :== 0 {K};
1017     a[15][38] :== 0 {K};
1018     a[15][39] :== 0 {K};
1019     a[15][40] :== 0 {K};
1020     a[15][41] :== -38.77 {K};
1021     a[15][42] :== 0 {K};
1022     a[15][43] :== 0 {K};
1023     a[15][44] :== 0 {K};
1024     a[15][45] :== 0 {K};
1025     a[15][46] :== 0 {K};
1026     a[15][47] :== 0 {K};
1027     (* row 16 *)
1028     a[16][1] :== -83.98 {K};
1029     a[16][2] :== -25.38 {K};
1030     a[16][3] :== -223.9 {K};
1031     a[16][4] :== 109.9 {K};
1032     a[16][5] :== 28.6 {K};
1033     a[16][6] :== -406.8 {K};
1034     a[16][7] :== -598.8 {K};
1035     a[16][8] :== 0 {K};
1036     a[16][9] :== 225.3 {K};
1037     a[16][10] :== 0 {K};
1038     a[16][11] :== 0 {K};
1039     a[16][12] :== 0 {K};
1040     a[16][13] :== 0 {K};
1041     a[16][14] :== 38.89 {K};
1042     a[16][15] :== 865.9 {K};
1043     a[16][16] :== 0 {K};
1044     a[16][17] :== 0 {K};
1045     a[16][18] :== 0 {K};
1046     a[16][19] :== 0 {K};
1047     a[16][20] :== 0 {K};
1048     a[16][21] :== 0 {K};
1049     a[16][22] :== -73.85 {K};
1050     a[16][23] :== -352.9 {K};
1051     a[16][24] :== -8.238 {K};
1052     a[16][25] :== -86.36 {K};
1053     a[16][26] :== 0 {K};
1054     a[16][27] :== 0 {K};
1055     a[16][28] :== 0 {K};
1056     a[16][29] :== 0 {K};
1057     a[16][30] :== 0 {K};
1058     a[16][31] :== 0 {K};
1059     a[16][32] :== 0 {K};
1060     a[16][33] :== 0 {K};
1061     a[16][34] :== 0 {K};
1062     a[16][35] :== 243.1 {K};
1063     a[16][36] :== 0 {K};
1064     a[16][37] :== 0 {K};
1065     a[16][38] :== -196.3 {K};
1066     a[16][39] :== 0 {K};
1067     a[16][40] :== 0 {K};
1068     a[16][41] :== 0 {K};
1069     a[16][42] :== 0 {K};
1070     a[16][43] :== 0 {K};
1071     a[16][44] :== 0 {K};
1072     a[16][45] :== 0 {K};
1073     a[16][46] :== 0 {K};
1074     a[16][47] :== 0 {K};
1075     (* row 17 *)
1076     a[17][1] :== 1139 {K};
1077     a[17][2] :== 2000 {K};
1078     a[17][3] :== 247.5 {K};
1079     a[17][4] :== 762.8 {K};
1080     a[17][5] :== -17.4 {K};
1081     a[17][6] :== -118.1 {K};
1082     a[17][7] :== -367.8 {K};
1083     a[17][8] :== -253.1 {K};
1084     a[17][9] :== -450.3 {K};
1085     a[17][10] :== 0 {K};
1086     a[17][11] :== -294.8 {K};
1087     a[17][12] :== 0 {K};
1088     a[17][13] :== 0 {K};
1089     a[17][14] :== -15.07 {K};
1090     a[17][15] :== 0 {K};
1091     a[17][16] :== 0 {K};
1092     a[17][17] :== 0 {K};
1093     a[17][18] :== 0 {K};
1094     a[17][19] :== -281.6 {K};
1095     a[17][20] :== 0 {K};
1096     a[17][21] :== 287 {K};
1097     a[17][22] :== 0 {K};
1098     a[17][23] :== 0 {K};
1099     a[17][24] :== 882 {K};
1100     a[17][25] :== 287.9 {K};
1101     a[17][26] :== 0 {K};
1102     a[17][27] :== -139.3 {K};
1103     a[17][28] :== 0 {K};
1104     a[17][29] :== 0 {K};
1105     a[17][30] :== 0 {K};
1106     a[17][31] :== -136.9 {K};
1107     a[17][32] :== 0 {K};
1108     a[17][33] :== 0 {K};
1109     a[17][34] :== 0 {K};
1110     a[17][35] :== 0 {K};
1111     a[17][36] :== 0 {K};
1112     a[17][37] :== 0 {K};
1113     a[17][38] :== 0 {K};
1114     a[17][39] :== -334.4 {K};
1115     a[17][40] :== 0 {K};
1116     a[17][41] :== -89.42 {K};
1117     a[17][42] :== 0 {K};
1118     a[17][43] :== 0 {K};
1119     a[17][44] :== 0 {K};
1120     a[17][45] :== 0 {K};
1121     a[17][46] :== 0 {K};
1122     a[17][47] :== 0 {K};
1123     (* row 18 *)
1124     a[18][1] :== -101.6 {K};
1125     a[18][2] :== 0 {K};
1126     a[18][3] :== 31.87 {K};
1127     a[18][4] :== 49.8 {K};
1128     a[18][5] :== -132.3 {K};
1129     a[18][6] :== 378.2 {K};
1130     a[18][7] :== -332.9 {K};
1131     a[18][8] :== -341.6 {K};
1132     a[18][9] :== -51.54 {K};
1133     a[18][10] :== 0 {K};
1134     a[18][11] :== 0 {K};
1135     a[18][12] :== 0 {K};
1136     a[18][13] :== 0 {K};
1137     a[18][14] :== 0 {K};
1138     a[18][15] :== 0 {K};
1139     a[18][16] :== 0 {K};
1140     a[18][17] :== 0 {K};
1141     a[18][18] :== 0 {K};
1142     a[18][19] :== -169.7 {K};
1143     a[18][20] :== -153.7 {K};
1144     a[18][21] :== 0 {K};
1145     a[18][22] :== -351.6 {K};
1146     a[18][23] :== -114.7 {K};
1147     a[18][24] :== -165.1 {K};
1148     a[18][25] :== 0 {K};
1149     a[18][26] :== 0 {K};
1150     a[18][27] :== 0 {K};
1151     a[18][28] :== 0 {K};
1152     a[18][29] :== 0 {K};
1153     a[18][30] :== 0 {K};
1154     a[18][31] :== 0 {K};
1155     a[18][32] :== 0 {K};
1156     a[18][33] :== 0 {K};
1157     a[18][34] :== 0 {K};
1158     a[18][35] :== 0 {K};
1159     a[18][36] :== 0 {K};
1160     a[18][37] :== 0 {K};
1161     a[18][38] :== 0 {K};
1162     a[18][39] :== 0 {K};
1163     a[18][40] :== 0 {K};
1164     a[18][41] :== 0 {K};
1165     a[18][42] :== 0 {K};
1166     a[18][43] :== 0 {K};
1167     a[18][44] :== 0 {K};
1168     a[18][45] :== 0 {K};
1169     a[18][46] :== 0 {K};
1170     a[18][47] :== 0 {K};
1171     (* row 19 *)
1172     a[19][1] :== 24.82 {K};
1173     a[19][2] :== -40.62 {K};
1174     a[19][3] :== -22.97 {K};
1175     a[19][4] :== -138.4 {K};
1176     a[19][5] :== -185.4 {K};
1177     a[19][6] :== 157.8 {K};
1178     a[19][7] :== 242.8 {K};
1179     a[19][8] :== 0 {K};
1180     a[19][9] :== -287.5 {K};
1181     a[19][10] :== 0 {K};
1182     a[19][11] :== -266.6 {K};
1183     a[19][12] :== 0 {K};
1184     a[19][13] :== 38.81 {K};
1185     a[19][14] :== 0 {K};
1186     a[19][15] :== 0 {K};
1187     a[19][16] :== 0 {K};
1188     a[19][17] :== 777.4 {K};
1189     a[19][18] :== 134.3 {K};
1190     a[19][19] :== 0 {K};
1191     a[19][20] :== 0 {K};
1192     a[19][21] :== 88.75 {K};
1193     a[19][22] :== -152.7 {K};
1194     a[19][23] :== -15.62 {K};
1195     a[19][24] :== -54.86 {K};
1196     a[19][25] :== 52.31 {K};
1197     a[19][26] :== -0.515 {K};
1198     a[19][27] :== 0 {K};
1199     a[19][28] :== 230.9 {K};
1200     a[19][29] :== 21.37 {K};
1201     a[19][30] :== 0 {K};
1202     a[19][31] :== 0 {K};
1203     a[19][32] :== 0 {K};
1204     a[19][33] :== 0 {K};
1205     a[19][34] :== -203 {K};
1206     a[19][35] :== 0 {K};
1207     a[19][36] :== 81.57 {K};
1208     a[19][37] :== 3.509 {K};
1209     a[19][38] :== 0 {K};
1210     a[19][39] :== 0 {K};
1211     a[19][40] :== 0 {K};
1212     a[19][41] :== 120.3 {K};
1213     a[19][42] :== 0 {K};
1214     a[19][43] :== 0 {K};
1215     a[19][44] :== 0 {K};
1216     a[19][45] :== 0 {K};
1217     a[19][46] :== 0 {K};
1218     a[19][47] :== 0 {K};
1219     (* row 20 *)
1220     a[20][1] :== 315.3 {K};
1221     a[20][2] :== 1264 {K};
1222     a[20][3] :== 62.32 {K};
1223     a[20][4] :== 268.2 {K};
1224     a[20][5] :== -151 {K};
1225     a[20][6] :== 1020 {K};
1226     a[20][7] :== -66.17 {K};
1227     a[20][8] :== 0 {K};
1228     a[20][9] :== -297.8 {K};
1229     a[20][10] :== 0 {K};
1230     a[20][11] :== -256.3 {K};
1231     a[20][12] :== 312.5 {K};
1232     a[20][13] :== -338.5 {K};
1233     a[20][14] :== 0 {K};
1234     a[20][15] :== 0 {K};
1235     a[20][16] :== 0 {K};
1236     a[20][17] :== 0 {K};
1237     a[20][18] :== -313.5 {K};
1238     a[20][19] :== 0 {K};
1239     a[20][20] :== 0 {K};
1240     a[20][21] :== 44.42 {K};
1241     a[20][22] :== 120.2 {K};
1242     a[20][23] :== 76.75 {K};
1243     a[20][24] :== 212.7 {K};
1244     a[20][25] :== 0 {K};
1245     a[20][26] :== 0 {K};
1246     a[20][27] :== 0 {K};
1247     a[20][28] :== 0 {K};
1248     a[20][29] :== 0 {K};
1249     a[20][30] :== 0 {K};
1250     a[20][31] :== 0 {K};
1251     a[20][32] :== 0 {K};
1252     a[20][33] :== -95 {K};
1253     a[20][34] :== 0 {K};
1254     a[20][35] :== -561.2 {K};
1255     a[20][36] :== 0 {K};
1256     a[20][37] :== -11.16 {K};
1257     a[20][38] :== 0 {K};
1258     a[20][39] :== -246.5 {K};
1259     a[20][40] :== 0 {K};
1260     a[20][41] :== -337 {K};
1261     a[20][42] :== 169.3 {K};
1262     a[20][43] :== 127.2 {K};
1263     a[20][44] :== 0 {K};
1264     a[20][45] :== 0 {K};
1265     a[20][46] :== 0 {K};
1266     a[20][47] :== 0 {K};
1267     (* row 21 *)
1268     a[21][1] :== 91.46 {K};
1269     a[21][2] :== 97.51 {K};
1270     a[21][3] :== 4.68 {K};
1271     a[21][4] :== 122.9 {K};
1272     a[21][5] :== 562.2 {K};
1273     a[21][6] :== 529 {K};
1274     a[21][7] :== 698.2 {K};
1275     a[21][8] :== 0 {K};
1276     a[21][9] :== 286.3 {K};
1277     a[21][10] :== -47.51 {K};
1278     a[21][11] :== 35.38 {K};
1279     a[21][12] :== 0 {K};
1280     a[21][13] :== 225.4 {K};
1281     a[21][14] :== 0 {K};
1282     a[21][15] :== 0 {K};
1283     a[21][16] :== 0 {K};
1284     a[21][17] :== 429.7 {K};
1285     a[21][18] :== 0 {K};
1286     a[21][19] :== -62.41 {K};
1287     a[21][20] :== 326.4 {K};
1288     a[21][21] :== 0 {K};
1289     a[21][22] :== 108.3 {K};
1290     a[21][23] :== 249.2 {K};
1291     a[21][24] :== 62.42 {K};
1292     a[21][25] :== 464.4 {K};
1293     a[21][26] :== 32.75 {K};
1294     a[21][27] :== 0 {K};
1295     a[21][28] :== 450.1 {K};
1296     a[21][29] :== 59.02 {K};
1297     a[21][30] :== 0 {K};
1298     a[21][31] :== 0 {K};
1299     a[21][32] :== 0 {K};
1300     a[21][33] :== -125.9 {K};
1301     a[21][34] :== 0 {K};
1302     a[21][35] :== 0 {K};
1303     a[21][36] :== 0 {K};
1304     a[21][37] :== -245.4 {K};
1305     a[21][38] :== 0 {K};
1306     a[21][39] :== 0 {K};
1307     a[21][40] :== 0 {K};
1308     a[21][41] :== 63.67 {K};
1309     a[21][42] :== 0 {K};
1310     a[21][43] :== 0 {K};
1311     a[21][44] :== 0 {K};
1312     a[21][45] :== 0 {K};
1313     a[21][46] :== 0 {K};
1314     a[21][47] :== 0 {K};
1315     (* row 22 *)
1316     a[22][1] :== 34.01 {K};
1317     a[22][2] :== 18.25 {K};
1318     a[22][3] :== 121.3 {K};
1319     a[22][4] :== 140.8 {K};
1320     a[22][5] :== 747.7 {K};
1321     a[22][6] :== 669.9 {K};
1322     a[22][7] :== 708.7 {K};
1323     a[22][8] :== 0 {K};
1324     a[22][9] :== 423.2 {K};
1325     a[22][10] :== 0 {K};
1326     a[22][11] :== -132.9 {K};
1327     a[22][12] :== 0 {K};
1328     a[22][13] :== -197.7 {K};
1329     a[22][14] :== 0 {K};
1330     a[22][15] :== 0 {K};
1331     a[22][16] :== -141.4 {K};
1332     a[22][17] :== 0 {K};
1333     a[22][18] :== 587.3 {K};
1334     a[22][19] :== 258.6 {K};
1335     a[22][20] :== 339.6 {K};
1336     a[22][21] :== -84.53 {K};
1337     a[22][22] :== 0 {K};
1338     a[22][23] :== 0 {K};
1339     a[22][24] :== 56.33 {K};
1340     a[22][25] :== 0 {K};
1341     a[22][26] :== 0 {K};
1342     a[22][27] :== 0 {K};
1343     a[22][28] :== 0 {K};
1344     a[22][29] :== 0 {K};
1345     a[22][30] :== 0 {K};
1346     a[22][31] :== 0 {K};
1347     a[22][32] :== 177.6 {K};
1348     a[22][33] :== 0 {K};
1349     a[22][34] :== 0 {K};
1350     a[22][35] :== 215 {K};
1351     a[22][36] :== 0 {K};
1352     a[22][37] :== 0 {K};
1353     a[22][38] :== 0 {K};
1354     a[22][39] :== 0 {K};
1355     a[22][40] :== 0 {K};
1356     a[22][41] :== -96.87 {K};
1357     a[22][42] :== 0 {K};
1358     a[22][43] :== 0 {K};
1359     a[22][44] :== 0 {K};
1360     a[22][45] :== 0 {K};
1361     a[22][46] :== 0 {K};
1362     a[22][47] :== 0 {K};
1363     (* row 23 *)
1364     a[23][1] :== 36.70 {K};
1365     a[23][2] :== 51.060 {K};
1366     a[23][3] :== 288.5 {K};
1367     a[23][4] :== 33.61 {K};
1368     a[23][5] :== 742.1 {K};
1369     a[23][6] :== 649.1 {K};
1370     a[23][7] :== 826.7 {K};
1371     a[23][8] :== 0.0 {K};
1372     a[23][9] :== 552.1 {K};
1373     a[23][10] :== 242.8 {K};
1374     a[23][11] :== 176.5 {K};
1375     a[23][12] :== 488.9 {K};
1376     a[23][13] :== -20.93 {K};
1377     a[23][14] :== 0 {K};
1378     a[23][15] :== 0 {K};
1379     a[23][16] :== -293.7 {K};
1380     a[23][17] :== 0 {K};
1381     a[23][18] :== 18.98 {K};
1382     a[23][19] :== 74.04 {K};
1383     a[23][20] :== 1346 {K};
1384     a[23][21] :== -157.1 {K};
1385     a[23][22] :== 0 {K};
1386     a[23][23] :== 0.0 {K};
1387     a[23][24] :== -30.1 {K};
1388     a[23][25] :== 0 {K};
1389     a[23][26] :== 0 {K};
1390     a[23][27] :== 0 {K};
1391     a[23][28] :== 116.6 {K};
1392     a[23][29] :== 0 {K};
1393     a[23][30] :== -64.38 {K};
1394     a[23][31] :== 0 {K};
1395     a[23][32] :== 86.4 {K};
1396     a[23][33] :== 0 {K};
1397     a[23][34] :== 0 {K};
1398     a[23][35] :== 363.7 {K};
1399     a[23][36] :== 0 {K};
1400     a[23][37] :== 111.2 {K};
1401     a[23][38] :== 0 {K};
1402     a[23][39] :== 0 {K};
1403     a[23][40] :== 0 {K};
1404     a[23][41] :== 255.8 {K};
1405     a[23][42] :== 0 {K};
1406     a[23][43] :== 0 {K};
1407     a[23][44] :== 0 {K};
1408     a[23][45] :== 0 {K};
1409     a[23][46] :== 0 {K};
1410     a[23][47] :== 0 {K};
1411    
1412     (* fixme
1413     (* row 24 *)
1414     a[24][1] :==
1415     a[24][2] :==
1416     a[24][3] :==
1417     a[24][4] :==
1418     a[24][5] :==
1419     a[24][6] :==
1420     a[24][7] :==
1421     a[24][8] :==
1422     a[24][9] :==
1423     a[24][10] :==
1424     a[24][11] :==
1425     a[24][12] :==
1426     a[24][13] :==
1427     a[24][14] :==
1428     a[24][15] :==
1429     a[24][16] :==
1430     a[24][17] :==
1431     a[24][18] :==
1432     a[24][19] :==
1433     a[24][20] :==
1434     a[24][21] :==
1435     a[24][22] :==
1436     a[24][23] :==
1437     a[24][24] :==
1438     a[24][25] :==
1439     a[24][26] :==
1440     a[24][27] :==
1441     a[24][28] :==
1442     a[24][29] :==
1443     a[24][30] :==
1444     a[24][31] :==
1445     a[24][32] :==
1446     a[24][33] :==
1447     a[24][34] :==
1448     a[24][35] :==
1449     a[24][36] :==
1450     a[24][37] :==
1451     a[24][38] :==
1452     a[24][39] :==
1453     a[24][40] :==
1454     a[24][41] :==
1455     a[24][42] :==
1456     a[24][43] :==
1457     a[24][44] :==
1458     a[24][45] :==
1459     a[24][46] :==
1460     a[24][47] :==
1461    
1462     (* row 25 *)
1463     a[25][1] :==
1464     a[25][2] :==
1465     a[25][3] :==
1466     a[25][4] :==
1467     a[25][5] :==
1468     a[25][6] :==
1469     a[25][7] :==
1470     a[25][8] :==
1471     a[25][9] :==
1472     a[25][10] :==
1473     a[25][11] :==
1474     a[25][12] :==
1475     a[25][13] :==
1476     a[25][14] :==
1477     a[25][15] :==
1478     a[25][16] :==
1479     a[25][17] :==
1480     a[25][18] :==
1481     a[25][19] :==
1482     a[25][20] :==
1483     a[25][21] :==
1484     a[25][22] :==
1485     a[25][23] :==
1486     a[25][24] :==
1487     a[25][25] :==
1488     a[25][26] :==
1489     a[25][27] :==
1490     a[25][28] :==
1491     a[25][29] :==
1492     a[25][30] :==
1493     a[25][31] :==
1494     a[25][32] :==
1495     a[25][33] :==
1496     a[25][34] :==
1497     a[25][35] :==
1498     a[25][36] :==
1499     a[25][37] :==
1500     a[25][38] :==
1501     a[25][39] :==
1502     a[25][40] :==
1503     a[25][41] :==
1504     a[25][42] :==
1505     a[25][43] :==
1506     a[25][44] :==
1507     a[25][45] :==
1508     a[25][46] :==
1509     a[25][47] :==
1510    
1511     (* row 26 *)
1512     a[26][1] :==
1513     a[26][2] :==
1514     a[26][3] :==
1515     a[26][4] :==
1516     a[26][5] :==
1517     a[26][6] :==
1518     a[26][7] :==
1519     a[26][8] :==
1520     a[26][9] :==
1521     a[26][10] :==
1522     a[26][11] :==
1523     a[26][12] :==
1524     a[26][13] :==
1525     a[26][14] :==
1526     a[26][15] :==
1527     a[26][16] :==
1528     a[26][17] :==
1529     a[26][18] :==
1530     a[26][19] :==
1531     a[26][20] :==
1532     a[26][21] :==
1533     a[26][22] :==
1534     a[26][23] :==
1535     a[26][24] :==
1536     a[26][25] :==
1537     a[26][26] :==
1538     a[26][27] :==
1539     a[26][28] :==
1540     a[26][29] :==
1541     a[26][30] :==
1542     a[26][31] :==
1543     a[26][32] :==
1544     a[26][33] :==
1545     a[26][34] :==
1546     a[26][35] :==
1547     a[26][36] :==
1548     a[26][37] :==
1549     a[26][38] :==
1550     a[26][39] :==
1551     a[26][40] :==
1552     a[26][41] :==
1553     a[26][42] :==
1554     a[26][43] :==
1555     a[26][44] :==
1556     a[26][45] :==
1557     a[26][46] :==
1558     a[26][47] :==
1559    
1560     (* row 27 *)
1561     a[27][1] :==
1562     a[27][2] :==
1563     a[27][3] :==
1564     a[27][4] :==
1565     a[27][5] :==
1566     a[27][6] :==
1567     a[27][7] :==
1568     a[27][8] :==
1569     a[27][9] :==
1570     a[27][10] :==
1571     a[27][11] :==
1572     a[27][12] :==
1573     a[27][13] :==
1574     a[27][14] :==
1575     a[27][15] :==
1576     a[27][16] :==
1577     a[27][17] :==
1578     a[27][18] :==
1579     a[27][19] :==
1580     a[27][20] :==
1581     a[27][21] :==
1582     a[27][22] :==
1583     a[27][23] :==
1584     a[27][24] :==
1585     a[27][25] :==
1586     a[27][26] :==
1587     a[27][27] :==
1588     a[27][28] :==
1589     a[27][29] :==
1590     a[27][30] :==
1591     a[27][31] :==
1592     a[27][32] :==
1593     a[27][33] :==
1594     a[27][34] :==
1595     a[27][35] :==
1596     a[27][36] :==
1597     a[27][37] :==
1598     a[27][38] :==
1599     a[27][39] :==
1600     a[27][40] :==
1601     a[27][41] :==
1602     a[27][42] :==
1603     a[27][43] :==
1604     a[27][44] :==
1605     a[27][45] :==
1606     a[27][46] :==
1607     a[27][47] :==
1608    
1609     (* row 28 *)
1610     a[28][1] :==
1611     a[28][2] :==
1612     a[28][3] :==
1613     a[28][4] :==
1614     a[28][5] :==
1615     a[28][6] :==
1616     a[28][7] :==
1617     a[28][8] :==
1618     a[28][9] :==
1619     a[28][10] :==
1620     a[28][11] :==
1621     a[28][12] :==
1622     a[28][13] :==
1623     a[28][14] :==
1624     a[28][15] :==
1625     a[28][16] :==
1626     a[28][17] :==
1627     a[28][18] :==
1628     a[28][19] :==
1629     a[28][20] :==
1630     a[28][21] :==
1631     a[28][22] :==
1632     a[28][23] :==
1633     a[28][24] :==
1634     a[28][25] :==
1635     a[28][26] :==
1636     a[28][27] :==
1637     a[28][28] :==
1638     a[28][29] :==
1639     a[28][30] :==
1640     a[28][31] :==
1641     a[28][32] :==
1642     a[28][33] :==
1643     a[28][34] :==
1644     a[28][35] :==
1645     a[28][36] :==
1646     a[28][37] :==
1647     a[28][38] :==
1648     a[28][39] :==
1649     a[28][40] :==
1650     a[28][41] :==
1651     a[28][42] :==
1652     a[28][43] :==
1653     a[28][44] :==
1654     a[28][45] :==
1655     a[28][46] :==
1656     a[28][47] :==
1657    
1658     (* row 29 *)
1659     a[29][1] :==
1660     a[29][2] :==
1661     a[29][3] :==
1662     a[29][4] :==
1663     a[29][5] :==
1664     a[29][6] :==
1665     a[29][7] :==
1666     a[29][8] :==
1667     a[29][9] :==
1668     a[29][10] :==
1669     a[29][11] :==
1670     a[29][12] :==
1671     a[29][13] :==
1672     a[29][14] :==
1673     a[29][15] :==
1674     a[29][16] :==
1675     a[29][17] :==
1676     a[29][18] :==
1677     a[29][19] :==
1678     a[29][20] :==
1679     a[29][21] :==
1680     a[29][22] :==
1681     a[29][23] :==
1682     a[29][24] :==
1683     a[29][25] :==
1684     a[29][26] :==
1685     a[29][27] :==
1686     a[29][28] :==
1687     a[29][29] :==
1688     a[29][30] :==
1689     a[29][31] :==
1690     a[29][32] :==
1691     a[29][33] :==
1692     a[29][34] :==
1693     a[29][35] :==
1694     a[29][36] :==
1695     a[29][37] :==
1696     a[29][38] :==
1697     a[29][39] :==
1698     a[29][40] :==
1699     a[29][41] :==
1700     a[29][42] :==
1701     a[29][43] :==
1702     a[29][44] :==
1703     a[29][45] :==
1704     a[29][46] :==
1705     a[29][47] :==
1706    
1707     (* row 30 *)
1708     a[30][1] :==
1709     a[30][2] :==
1710     a[30][3] :==
1711     a[30][4] :==
1712     a[30][5] :==
1713     a[30][6] :==
1714     a[30][7] :==
1715     a[30][8] :==
1716     a[30][9] :==
1717     a[30][10] :==
1718     a[30][11] :==
1719     a[30][12] :==
1720     a[30][13] :==
1721     a[30][14] :==
1722     a[30][15] :==
1723     a[30][16] :==
1724     a[30][17] :==
1725     a[30][18] :==
1726     a[30][19] :==
1727     a[30][20] :==
1728     a[30][21] :==
1729     a[30][22] :==
1730     a[30][23] :==
1731     a[30][24] :==
1732     a[30][25] :==
1733     a[30][26] :==
1734     a[30][27] :==
1735     a[30][28] :==
1736     a[30][29] :==
1737     a[30][30] :==
1738     a[30][31] :==
1739     a[30][32] :==
1740     a[30][33] :==
1741     a[30][34] :==
1742     a[30][35] :==
1743     a[30][36] :==
1744     a[30][37] :==
1745     a[30][38] :==
1746     a[30][39] :==
1747     a[30][40] :==
1748     a[30][41] :==
1749     a[30][42] :==
1750     a[30][43] :==
1751     a[30][44] :==
1752     a[30][45] :==
1753     a[30][46] :==
1754     a[30][47] :==
1755    
1756     (* row 31 *)
1757     a[31][1] :==
1758     a[31][2] :==
1759     a[31][3] :==
1760     a[31][4] :==
1761     a[31][5] :==
1762     a[31][6] :==
1763     a[31][7] :==
1764     a[31][8] :==
1765     a[31][9] :==
1766     a[31][10] :==
1767     a[31][11] :==
1768     a[31][12] :==
1769     a[31][13] :==
1770     a[31][14] :==
1771     a[31][15] :==
1772     a[31][16] :==
1773     a[31][17] :==
1774     a[31][18] :==
1775     a[31][19] :==
1776     a[31][20] :==
1777     a[31][21] :==
1778     a[31][22] :==
1779     a[31][23] :==
1780     a[31][24] :==
1781     a[31][25] :==
1782     a[31][26] :==
1783     a[31][27] :==
1784     a[31][28] :==
1785     a[31][29] :==
1786     a[31][30] :==
1787     a[31][31] :==
1788     a[31][32] :==
1789     a[31][33] :==
1790     a[31][34] :==
1791     a[31][35] :==
1792     a[31][36] :==
1793     a[31][37] :==
1794     a[31][38] :==
1795     a[31][39] :==
1796     a[31][40] :==
1797     a[31][41] :==
1798     a[31][42] :==
1799     a[31][43] :==
1800     a[31][44] :==
1801     a[31][45] :==
1802     a[31][46] :==
1803     a[31][47] :==
1804    
1805     (* row 32 *)
1806     a[32][1] :==
1807     a[32][2] :==
1808     a[32][3] :==
1809     a[32][4] :==
1810     a[32][5] :==
1811     a[32][6] :==
1812     a[32][7] :==
1813     a[32][8] :==
1814     a[32][9] :==
1815     a[32][10] :==
1816     a[32][11] :==
1817     a[32][12] :==
1818     a[32][13] :==
1819     a[32][14] :==
1820     a[32][15] :==
1821     a[32][16] :==
1822     a[32][17] :==
1823     a[32][18] :==
1824     a[32][19] :==
1825     a[32][20] :==
1826     a[32][21] :==
1827     a[32][22] :==
1828     a[32][23] :==
1829     a[32][24] :==
1830     a[32][25] :==
1831     a[32][26] :==
1832     a[32][27] :==
1833     a[32][28] :==
1834     a[32][29] :==
1835     a[32][30] :==
1836     a[32][31] :==
1837     a[32][32] :==
1838     a[32][33] :==
1839     a[32][34] :==
1840     a[32][35] :==
1841     a[32][36] :==
1842     a[32][37] :==
1843     a[32][38] :==
1844     a[32][39] :==
1845     a[32][40] :==
1846     a[32][41] :==
1847     a[32][42] :==
1848     a[32][43] :==
1849     a[32][44] :==
1850     a[32][45] :==
1851     a[32][46] :==
1852     a[32][47] :==
1853    
1854     (* row 33 *)
1855     a[33][1] :==
1856     a[33][2] :==
1857     a[33][3] :==
1858     a[33][4] :==
1859     a[33][5] :==
1860     a[33][6] :==
1861     a[33][7] :==
1862     a[33][8] :==
1863     a[33][9] :==
1864     a[33][10] :==
1865     a[33][11] :==
1866     a[33][12] :==
1867     a[33][13] :==
1868     a[33][14] :==
1869     a[33][15] :==
1870     a[33][16] :==
1871     a[33][17] :==
1872     a[33][18] :==
1873     a[33][19] :==
1874     a[33][20] :==
1875     a[33][21] :==
1876     a[33][22] :==
1877     a[33][23] :==
1878     a[33][24] :==
1879     a[33][25] :==
1880     a[33][26] :==
1881     a[33][27] :==
1882     a[33][28] :==
1883     a[33][29] :==
1884     a[33][30] :==
1885     a[33][31] :==
1886     a[33][32] :==
1887     a[33][33] :==
1888     a[33][34] :==
1889     a[33][35] :==
1890     a[33][36] :==
1891     a[33][37] :==
1892     a[33][38] :==
1893     a[33][39] :==
1894     a[33][40] :==
1895     a[33][41] :==
1896     a[33][42] :==
1897     a[33][43] :==
1898     a[33][44] :==
1899     a[33][45] :==
1900     a[33][46] :==
1901     a[33][47] :==
1902    
1903     (* row 34 *)
1904     a[34][1] :==
1905     a[34][2] :==
1906     a[34][3] :==
1907     a[34][4] :==
1908     a[34][5] :==
1909     a[34][6] :==
1910     a[34][7] :==
1911     a[34][8] :==
1912     a[34][9] :==
1913     a[34][10] :==
1914     a[34][11] :==
1915     a[34][12] :==
1916     a[34][13] :==
1917     a[34][14] :==
1918     a[34][15] :==
1919     a[34][16] :==
1920     a[34][17] :==
1921     a[34][18] :==
1922     a[34][19] :==
1923     a[34][20] :==
1924     a[34][21] :==
1925     a[34][22] :==
1926     a[34][23] :==
1927     a[34][24] :==
1928     a[34][25] :==
1929     a[34][26] :==
1930     a[34][27] :==
1931     a[34][28] :==
1932     a[34][29] :==
1933     a[34][30] :==
1934     a[34][31] :==
1935     a[34][32] :==
1936     a[34][33] :==
1937     a[34][34] :==
1938     a[34][35] :==
1939     a[34][36] :==
1940     a[34][37] :==
1941     a[34][38] :==
1942     a[34][39] :==
1943     a[34][40] :==
1944     a[34][41] :==
1945     a[34][42] :==
1946     a[34][43] :==
1947     a[34][44] :==
1948     a[34][45] :==
1949     a[34][46] :==
1950     a[34][47] :==
1951    
1952     (* row 35 *)
1953     a[35][1] :==
1954     a[35][2] :==
1955     a[35][3] :==
1956     a[35][4] :==
1957     a[35][5] :==
1958     a[35][6] :==
1959     a[35][7] :==
1960     a[35][8] :==
1961     a[35][9] :==
1962     a[35][10] :==
1963     a[35][11] :==
1964     a[35][12] :==
1965     a[35][13] :==
1966     a[35][14] :==
1967     a[35][15] :==
1968     a[35][16] :==
1969     a[35][17] :==
1970     a[35][18] :==
1971     a[35][19] :==
1972     a[35][20] :==
1973     a[35][21] :==
1974     a[35][22] :==
1975     a[35][23] :==
1976     a[35][24] :==
1977     a[35][25] :==
1978     a[35][26] :==
1979     a[35][27] :==
1980     a[35][28] :==
1981     a[35][29] :==
1982     a[35][30] :==
1983     a[35][31] :==
1984     a[35][32] :==
1985     a[35][33] :==
1986     a[35][34] :==
1987     a[35][35] :==
1988     a[35][36] :==
1989     a[35][37] :==
1990     a[35][38] :==
1991     a[35][39] :==
1992     a[35][40] :==
1993     a[35][41] :==
1994     a[35][42] :==
1995     a[35][43] :==
1996     a[35][44] :==
1997     a[35][45] :==
1998     a[35][46] :==
1999     a[35][47] :==
2000    
2001     (* row 36 *)
2002     a[36][1] :==
2003     a[36][2] :==
2004     a[36][3] :==
2005     a[36][4] :==
2006     a[36][5] :==
2007     a[36][6] :==
2008     a[36][7] :==
2009     a[36][8] :==
2010     a[36][9] :==
2011     a[36][10] :==
2012     a[36][11] :==
2013     a[36][12] :==
2014     a[36][13] :==
2015     a[36][14] :==
2016     a[36][15] :==
2017     a[36][16] :==
2018     a[36][17] :==
2019     a[36][18] :==
2020     a[36][19] :==
2021     a[36][20] :==
2022     a[36][21] :==
2023     a[36][22] :==
2024     a[36][23] :==
2025     a[36][24] :==
2026     a[36][25] :==
2027     a[36][26] :==
2028     a[36][27] :==
2029     a[36][28] :==
2030     a[36][29] :==
2031     a[36][30] :==
2032     a[36][31] :==
2033     a[36][32] :==
2034     a[36][33] :==
2035     a[36][34] :==
2036     a[36][35] :==
2037     a[36][36] :==
2038     a[36][37] :==
2039     a[36][38] :==
2040     a[36][39] :==
2041     a[36][40] :==
2042     a[36][41] :==
2043     a[36][42] :==
2044     a[36][43] :==
2045     a[36][44] :==
2046     a[36][45] :==
2047     a[36][46] :==
2048     a[36][47] :==
2049    
2050     (* row 37 *)
2051     a[37][1] :==
2052     a[37][2] :==
2053     a[37][3] :==
2054     a[37][4] :==
2055     a[37][5] :==
2056     a[37][6] :==
2057     a[37][7] :==
2058     a[37][8] :==
2059     a[37][9] :==
2060     a[37][10] :==
2061     a[37][11] :==
2062     a[37][12] :==
2063     a[37][13] :==
2064     a[37][14] :==
2065     a[37][15] :==
2066     a[37][16] :==
2067     a[37][17] :==
2068     a[37][18] :==
2069     a[37][19] :==
2070     a[37][20] :==
2071     a[37][21] :==
2072     a[37][22] :==
2073     a[37][23] :==
2074     a[37][24] :==
2075     a[37][25] :==
2076     a[37][26] :==
2077     a[37][27] :==
2078     a[37][28] :==
2079     a[37][29] :==
2080     a[37][30] :==
2081     a[37][31] :==
2082     a[37][32] :==
2083     a[37][33] :==
2084     a[37][34] :==
2085     a[37][35] :==
2086     a[37][36] :==
2087     a[37][37] :==
2088     a[37][38] :==
2089     a[37][39] :==
2090     a[37][40] :==
2091     a[37][41] :==
2092     a[37][42] :==
2093     a[37][43] :==
2094     a[37][44] :==
2095     a[37][45] :==
2096     a[37][46] :==
2097     a[37][47] :==
2098    
2099     (* row 38 *)
2100     a[38][1] :==
2101     a[38][2] :==
2102     a[38][3] :==
2103     a[38][4] :==
2104     a[38][5] :==
2105     a[38][6] :==
2106     a[38][7] :==
2107     a[38][8] :==
2108     a[38][9] :==
2109     a[38][10] :==
2110     a[38][11] :==
2111     a[38][12] :==
2112     a[38][13] :==
2113     a[38][14] :==
2114     a[38][15] :==
2115     a[38][16] :==
2116     a[38][17] :==
2117     a[38][18] :==
2118     a[38][19] :==
2119     a[38][20] :==
2120     a[38][21] :==
2121     a[38][22] :==
2122     a[38][23] :==
2123     a[38][24] :==
2124     a[38][25] :==
2125     a[38][26] :==
2126     a[38][27] :==
2127     a[38][28] :==
2128     a[38][29] :==
2129     a[38][30] :==
2130     a[38][31] :==
2131     a[38][32] :==
2132     a[38][33] :==
2133     a[38][34] :==
2134     a[38][35] :==
2135     a[38][36] :==
2136     a[38][37] :==
2137     a[38][38] :==
2138     a[38][39] :==
2139     a[38][40] :==
2140     a[38][41] :==
2141     a[38][42] :==
2142     a[38][43] :==
2143     a[38][44] :==
2144     a[38][45] :==
2145     a[38][46] :==
2146     a[38][47] :==
2147    
2148     (* row 39 *)
2149     a[39][1] :==
2150     a[39][2] :==
2151     a[39][3] :==
2152     a[39][4] :==
2153     a[39][5] :==
2154     a[39][6] :==
2155     a[39][7] :==
2156     a[39][8] :==
2157     a[39][9] :==
2158     a[39][10] :==
2159     a[39][11] :==
2160     a[39][12] :==
2161     a[39][13] :==
2162     a[39][14] :==
2163     a[39][15] :==
2164     a[39][16] :==
2165     a[39][17] :==
2166     a[39][18] :==
2167     a[39][19] :==
2168     a[39][20] :==
2169     a[39][21] :==
2170     a[39][22] :==
2171     a[39][23] :==
2172     a[39][24] :==
2173     a[39][25] :==
2174     a[39][26] :==
2175     a[39][27] :==
2176     a[39][28] :==
2177     a[39][29] :==
2178     a[39][30] :==
2179     a[39][31] :==
2180     a[39][32] :==
2181     a[39][33] :==
2182     a[39][34] :==
2183     a[39][35] :==
2184     a[39][36] :==
2185     a[39][37] :==
2186     a[39][38] :==
2187     a[39][39] :==
2188     a[39][40] :==
2189     a[39][41] :==
2190     a[39][42] :==
2191     a[39][43] :==
2192     a[39][44] :==
2193     a[39][45] :==
2194     a[39][46] :==
2195     a[39][47] :==
2196    
2197     (* row 40 *)
2198     a[40][1] :==
2199     a[40][2] :==
2200     a[40][3] :==
2201     a[40][4] :==
2202     a[40][5] :==
2203     a[40][6] :==
2204     a[40][7] :==
2205     a[40][8] :==
2206     a[40][9] :==
2207     a[40][10] :==
2208     a[40][11] :==
2209     a[40][12] :==
2210     a[40][13] :==
2211     a[40][14] :==
2212     a[40][15] :==
2213     a[40][16] :==
2214     a[40][17] :==
2215     a[40][18] :==
2216     a[40][19] :==
2217     a[40][20] :==
2218     a[40][21] :==
2219     a[40][22] :==
2220     a[40][23] :==
2221     a[40][24] :==
2222     a[40][25] :==
2223     a[40][26] :==
2224     a[40][27] :==
2225     a[40][28] :==
2226     a[40][29] :==
2227     a[40][30] :==
2228     a[40][31] :==
2229     a[40][32] :==
2230     a[40][33] :==
2231     a[40][34] :==
2232     a[40][35] :==
2233     a[40][36] :==
2234     a[40][37] :==
2235     a[40][38] :==
2236     a[40][39] :==
2237     a[40][40] :==
2238     a[40][41] :==
2239     a[40][42] :==
2240     a[40][43] :==
2241     a[40][44] :==
2242     a[40][45] :==
2243     a[40][46] :==
2244     a[40][47] :==
2245    
2246     (* row 41 *)
2247     a[41][1] :==
2248     a[41][2] :==
2249     a[41][3] :==
2250     a[41][4] :==
2251     a[41][5] :==
2252     a[41][6] :==
2253     a[41][7] :==
2254     a[41][8] :==
2255     a[41][9] :==
2256     a[41][10] :==
2257     a[41][11] :==
2258     a[41][12] :==
2259     a[41][13] :==
2260     a[41][14] :==
2261     a[41][15] :==
2262     a[41][16] :==
2263     a[41][17] :==
2264     a[41][18] :==
2265     a[41][19] :==
2266     a[41][20] :==
2267     a[41][21] :==
2268     a[41][22] :==
2269     a[41][23] :==
2270     a[41][24] :==
2271     a[41][25] :==
2272     a[41][26] :==
2273     a[41][27] :==
2274     a[41][28] :==
2275     a[41][29] :==
2276     a[41][30] :==
2277     a[41][31] :==
2278     a[41][32] :==
2279     a[41][33] :==
2280     a[41][34] :==
2281     a[41][35] :==
2282     a[41][36] :==
2283     a[41][37] :==
2284     a[41][38] :==
2285     a[41][39] :==
2286     a[41][40] :==
2287     a[41][41] :==
2288     a[41][42] :==
2289     a[41][43] :==
2290     a[41][44] :==
2291     a[41][45] :==
2292     a[41][46] :==
2293     a[41][47] :==
2294    
2295     (* row 42 *)
2296     a[42][1] :==
2297     a[42][2] :==
2298     a[42][3] :==
2299     a[42][4] :==
2300     a[42][5] :==
2301     a[42][6] :==
2302     a[42][7] :==
2303     a[42][8] :==
2304     a[42][9] :==
2305     a[42][10] :==
2306     a[42][11] :==
2307     a[42][12] :==
2308     a[42][13] :==
2309     a[42][14] :==
2310     a[42][15] :==
2311     a[42][16] :==
2312     a[42][17] :==
2313     a[42][18] :==
2314     a[42][19] :==
2315     a[42][20] :==
2316     a[42][21] :==
2317     a[42][22] :==
2318     a[42][23] :==
2319     a[42][24] :==
2320     a[42][25] :==
2321     a[42][26] :==
2322     a[42][27] :==
2323     a[42][28] :==
2324     a[42][29] :==
2325     a[42][30] :==
2326     a[42][31] :==
2327     a[42][32] :==
2328     a[42][33] :==
2329     a[42][34] :==
2330     a[42][35] :==
2331     a[42][36] :==
2332     a[42][37] :==
2333     a[42][38] :==
2334     a[42][39] :==
2335     a[42][40] :==
2336     a[42][41] :==
2337     a[42][42] :==
2338     a[42][43] :==
2339     a[42][44] :==
2340     a[42][45] :==
2341     a[42][46] :==
2342     a[42][47] :==
2343    
2344     (* row 43 *)
2345     a[43][1] :==
2346     a[43][2] :==
2347     a[43][3] :==
2348     a[43][4] :==
2349     a[43][5] :==
2350     a[43][6] :==
2351     a[43][7] :==
2352     a[43][8] :==
2353     a[43][9] :==
2354     a[43][10] :==
2355     a[43][11] :==
2356     a[43][12] :==
2357     a[43][13] :==
2358     a[43][14] :==
2359     a[43][15] :==
2360     a[43][16] :==
2361     a[43][17] :==
2362     a[43][18] :==
2363     a[43][19] :==
2364     a[43][20] :==
2365     a[43][21] :==
2366     a[43][22] :==
2367     a[43][23] :==
2368     a[43][24] :==
2369     a[43][25] :==
2370     a[43][26] :==
2371     a[43][27] :==
2372     a[43][28] :==
2373     a[43][29] :==
2374     a[43][30] :==
2375     a[43][31] :==
2376     a[43][32] :==
2377     a[43][33] :==
2378     a[43][34] :==
2379     a[43][35] :==
2380     a[43][36] :==
2381     a[43][37] :==
2382     a[43][38] :==
2383     a[43][39] :==
2384     a[43][40] :==
2385     a[43][41] :==
2386     a[43][42] :==
2387     a[43][43] :==
2388     a[43][44] :==
2389     a[43][45] :==
2390     a[43][46] :==
2391     a[43][47] :==
2392    
2393     (* row 44 *)
2394     a[44][1] :==
2395     a[44][2] :==
2396     a[44][3] :==
2397     a[44][4] :==
2398     a[44][5] :==
2399     a[44][6] :==
2400     a[44][7] :==
2401     a[44][8] :==
2402     a[44][9] :==
2403     a[44][10] :==
2404     a[44][11] :==
2405     a[44][12] :==
2406     a[44][13] :==
2407     a[44][14] :==
2408     a[44][15] :==
2409     a[44][16] :==
2410     a[44][17] :==
2411     a[44][18] :==
2412     a[44][19] :==
2413     a[44][20] :==
2414     a[44][21] :==
2415     a[44][22] :==
2416     a[44][23] :==
2417     a[44][24] :==
2418     a[44][25] :==
2419     a[44][26] :==
2420     a[44][27] :==
2421     a[44][28] :==
2422     a[44][29] :==
2423     a[44][30] :==
2424     a[44][31] :==
2425     a[44][32] :==
2426     a[44][33] :==
2427     a[44][34] :==
2428     a[44][35] :==
2429     a[44][36] :==
2430     a[44][37] :==
2431     a[44][38] :==
2432     a[44][39] :==
2433     a[44][40] :==
2434     a[44][41] :==
2435     a[44][42] :==
2436     a[44][43] :==
2437     a[44][44] :==
2438     a[44][45] :==
2439     a[44][46] :==
2440     a[44][47] :==
2441    
2442     (* row 45 *)
2443     a[45][1] :==
2444     a[45][2] :==
2445     a[45][3] :==
2446     a[45][4] :==
2447     a[45][5] :==
2448     a[45][6] :==
2449     a[45][7] :==
2450     a[45][8] :==
2451     a[45][9] :==
2452     a[45][10] :==
2453     a[45][11] :==
2454     a[45][12] :==
2455     a[45][13] :==
2456     a[45][14] :==
2457     a[45][15] :==
2458     a[45][16] :==
2459     a[45][17] :==
2460     a[45][18] :==
2461     a[45][19] :==
2462     a[45][20] :==
2463     a[45][21] :==
2464     a[45][22] :==
2465     a[45][23] :==
2466     a[45][24] :==
2467     a[45][25] :==
2468     a[45][26] :==
2469     a[45][27] :==
2470     a[45][28] :==
2471     a[45][29] :==
2472     a[45][30] :==
2473     a[45][31] :==
2474     a[45][32] :==
2475     a[45][33] :==
2476     a[45][34] :==
2477     a[45][35] :==
2478     a[45][36] :==
2479     a[45][37] :==
2480     a[45][38] :==
2481     a[45][39] :==
2482     a[45][40] :==
2483     a[45][41] :==
2484     a[45][42] :==
2485     a[45][43] :==
2486     a[45][44] :==
2487     a[45][45] :==
2488     a[45][46] :==
2489     a[45][47] :==
2490    
2491     (* row 46 *)
2492     a[46][1] :==
2493     a[46][2] :==
2494     a[46][3] :==
2495     a[46][4] :==
2496     a[46][5] :==
2497     a[46][6] :==
2498     a[46][7] :==
2499     a[46][8] :==
2500     a[46][9] :==
2501     a[46][10] :==
2502     a[46][11] :==
2503     a[46][12] :==
2504     a[46][13] :==
2505     a[46][14] :==
2506     a[46][15] :==
2507     a[46][16] :==
2508     a[46][17] :==
2509     a[46][18] :==
2510     a[46][19] :==
2511     a[46][20] :==
2512     a[46][21] :==
2513     a[46][22] :==
2514     a[46][23] :==
2515     a[46][24] :==
2516     a[46][25] :==
2517     a[46][26] :==
2518     a[46][27] :==
2519     a[46][28] :==
2520     a[46][29] :==
2521     a[46][30] :==
2522     a[46][31] :==
2523     a[46][32] :==
2524     a[46][33] :==
2525     a[46][34] :==
2526     a[46][35] :==
2527     a[46][36] :==
2528     a[46][37] :==
2529     a[46][38] :==
2530     a[46][39] :==
2531     a[46][40] :==
2532     a[46][41] :==
2533     a[46][42] :==
2534     a[46][43] :==
2535     a[46][44] :==
2536     a[46][45] :==
2537     a[46][46] :==
2538     a[46][47] :==
2539    
2540     (* row 47 *)
2541     a[47][1] :==
2542     a[47][2] :==
2543     a[47][3] :==
2544     a[47][4] :==
2545     a[47][5] :==
2546     a[47][6] :==
2547     a[47][7] :==
2548     a[47][8] :==
2549     a[47][9] :==
2550     a[47][10] :==
2551     a[47][11] :==
2552     a[47][12] :==
2553     a[47][13] :==
2554     a[47][14] :==
2555     a[47][15] :==
2556     a[47][16] :==
2557     a[47][17] :==
2558     a[47][18] :==
2559     a[47][19] :==
2560     a[47][20] :==
2561     a[47][21] :==
2562     a[47][22] :==
2563     a[47][23] :==
2564     a[47][24] :==
2565     a[47][25] :==
2566     a[47][26] :==
2567     a[47][27] :==
2568     a[47][28] :==
2569     a[47][29] :==
2570     a[47][30] :==
2571     a[47][31] :==
2572     a[47][32] :==
2573     a[47][33] :==
2574     a[47][34] :==
2575     a[47][35] :==
2576     a[47][36] :==
2577     a[47][37] :==
2578     a[47][38] :==
2579     a[47][39] :==
2580     a[47][40] :==
2581     a[47][41] :==
2582     a[47][42] :==
2583     a[47][43] :==
2584     a[47][44] :==
2585     a[47][45] :==
2586     a[47][46] :==
2587     a[47][47] :==
2588     END fixme *)
2589    
2590     R[subgroups] "group molecular volume contribution",
2591     Q[subgroups] "group molecular area contribution" IS_A UNIFAC_size;
2592     (*
2593     *R and Q are the unifac volume and surface contributions,
2594     *indexed by subgroup, columns 4 & 5 in RPP Table 8-21
2595     *)
2596     R['CH3'] :== 0.9011;
2597     R['CH2'] :== 0.6744;
2598     R['CH'] :== 0.4469;
2599     R['C'] :== 0.2195;
2600     R['CH2=CH'] :== 1.3454;
2601     R['CH=CH'] :== 1.1167;
2602     R['CH2=C'] :== 1.1173;
2603     R['CH=C'] :== 0.8886;
2604     R['C=C'] :== 0.6605;
2605     R['ACH'] :== 0.5313;
2606     R['AC'] :== 0.3652;
2607     R['ACCH3'] :== 1.2663;
2608     R['ACCH2'] :== 1.0396;
2609     R['ACCH'] :== 0.8121;
2610     R['OH'] :== 1.000;
2611     R['CH3OH'] :== 1.4311;
2612     R['H2O'] :== 0.9200;
2613     R['ACOH'] :== 0.8952;
2614     R['CH3CO'] :== 1.6724;
2615     R['CH2CO'] :== 1.4457;
2616     R['CHO'] :== 0.9980;
2617     R['CH3COO'] :== 1.9031;
2618     R['CH2COO'] :== 1.6764;
2619     R['HCOO'] :== 1.242;
2620     R['CH3O'] :== 1.145;
2621     R['CH2O'] :== 0.9183;
2622     R['CH-O'] :== 0.6908;
2623     R['FCH2O'] :== 0.9183;
2624     R['CH3NH2'] :== 1.5959;
2625     R['CH2NH2'] :== 1.3692;
2626     R['CHNH2'] :== 1.1417;
2627     R['CH3NH'] :== 1.4337;
2628     R['CH2NH'] :== 1.207;
2629     R['CHNH'] :== 0.9795;
2630     R['CH3N'] :== 1.1865;
2631     R['CH2N'] :== 0.9597;
2632     R['ACNH2'] :== 1.06;
2633     R['C5H5N'] :== 2.9993;
2634     R['C5H4N'] :== 2.8332;
2635     R['C5H3N'] :== 2.6670;
2636     R['CH3CN'] :== 1.8701;
2637     R['CH2CN'] :== 1.6434;
2638     R['COOH'] :== 1.3013;
2639     R['HCOOH'] :== 1.5280;
2640     R['CH2Cl'] :== 1.4654;
2641     R['CHCl'] :== 1.2380;
2642     R['CCl'] :== 1.006;
2643     R['CH2Cl2'] :== 2.2564;
2644     R['CHCl2'] :== 2.0606;
2645     R['CCl2'] :== 1.8016;
2646    
2647     R['CHCl3'] :== 2.8700;
2648     R['CCl3'] :== 2.6401;
2649    
2650     R['CCl4'] :== 3.39;
2651     R['ACCl'] :== 1.1562;
2652     R['CH3NO2'] :== 2.0086;
2653     R['CH2NO2'] :== 1.7818;
2654     R['CHNO2'] :== 1.5544;
2655     R['ACNO2'] :== 1.4199;
2656     R['CS2'] :== 2.057;
2657     R['CH3SH'] :== 1.877;
2658     R['CH2SH'] :== 1.651;
2659     R['Furfural'] :== 3.168;
2660     R['(CH2OH)2'] :== 2.4088;
2661     R['I'] :== 1.264;
2662     R['Br'] :== 0.9492;
2663     R['CH-trip-C'] :== 1.292;
2664     R['C-trip-C'] :== 1.0613;
2665     R['Me2SO'] :== 2.8266;
2666     R['Acry'] :== 2.3144;
2667     R['Cl(C=C)'] :== 0.7910;
2668     R['ACF'] :== 0.6948;
2669     R['DMF-1'] :== 3.0856;
2670     R['DMF-2'] :== 2.6322;
2671     R['CF3'] :== 1.0406;
2672     R['CF2'] :== 1.0105;
2673     R['CF'] :== 0.615;
2674     R['COO'] :== 1.38;
2675     R['SiH3'] :== 1.6035;
2676     R['SiH2'] :== 1.4443;
2677     R['SiH'] :== 1.2851;
2678     R['Si'] :== 1.047;
2679     R['SiH2O'] :== 1.4338;
2680     R['SiHO'] :== 1.303;
2681     R['SiO'] :== 1.1044;
2682     R['NMP'] :== 3.981;
2683     R['tert-N'] :== 0.2854;
2684     R['Amide'] :== 1.466;
2685     R['CON(Me)2'] :== 2.859;
2686     R['CONMeCH2'] :== 2.632;
2687     R['CON(CH2)2'] :== 2.405;
2688    
2689     Q['CH3'] :== 0.848;
2690     Q['CH2'] :== 0.540;
2691     Q['CH'] :== 0.228;
2692     Q['C'] :== 0.0;
2693     Q['CH2=CH'] :== 1.176;
2694     Q['CH=CH'] :== 0.867;
2695     Q['CH2=C'] :== 0.988;
2696     Q['CH=C'] :== 0.676;
2697     Q['C=C'] :== 0.485;
2698     Q['ACH'] :== 0.40;
2699     Q['AC'] :== 0.120;
2700     Q['ACCH3'] :== 0.968;
2701     Q['ACCH2'] :== 0.660;
2702     Q['ACCH'] :== 0.348;
2703     Q['OH'] :== 1.200;
2704     Q['CH3OH'] :== 1.432;
2705     Q['H2O'] :== 1.400;
2706     Q['ACOH'] :== 0.680;
2707     Q['CH3CO'] :== 1.488;
2708     Q['CH2CO'] :== 1.180;
2709     Q['CHO'] :== 0.948;
2710     Q['CH3COO'] :== 1.728;
2711     Q['CH2COO'] :== 1.420;
2712     Q['HCOO'] :== 1.188;
2713     Q['CH3O'] :== 1.088;
2714     Q['CH2O'] :== 0.78;
2715     Q['CH-O'] :== 0.468;
2716     Q['FCH2O'] :== 1.1;
2717     Q['CH3NH2'] :== 1.544;
2718     Q['CH2NH2'] :== 1.236;
2719     Q['CHNH2'] :== 0.924;
2720     Q['CH3NH'] :== 1.244;
2721     Q['CH2NH'] :== 0.936;
2722     Q['CHNH'] :== 0.624;
2723     Q['CH3N'] :== 0.94;
2724     Q['CH2N'] :== 0.632;
2725     Q['ACNH2'] :== 0.816;
2726     Q['C5H5N'] :== 2.113;
2727     Q['C5H4N'] :== 1.833;
2728     Q['C5H3N'] :== 1.553;
2729     Q['CH3CN'] :== 1.724;
2730     Q['CH2CN'] :== 1.416;
2731     Q['COOH'] :== 1.224;
2732     Q['HCOOH'] :== 1.532;
2733     Q['CH2Cl'] :== 1.264;
2734     Q['CHCl'] :== 0.952;
2735     Q['CCl'] :== 0.724;
2736     Q['CH2Cl2'] :== 1.988;
2737     Q['CHCl2'] :== 1.684;
2738     Q['CCl2'] :== 1.448;
2739    
2740     Q['CHCl3'] :== 2.410;
2741     Q['CCl3'] :== 2.184;
2742    
2743     Q['CCl4'] :== 2.91;
2744     Q['ACCl'] :== 0.844;
2745     Q['CH3NO2'] :== 1.868;
2746     Q['CH2NO2'] :== 1.56;
2747     Q['CHNO2'] :== 1.248;
2748     Q['ACNO2'] :== 1.104;
2749     Q['CS2'] :== 1.65;
2750     Q['CH3SH'] :== 1.676;
2751     Q['CH2SH'] :== 1.368;
2752     Q['Furfural'] :== 2.481;
2753     Q['(CH2OH)2'] :== 2.248;
2754     Q['I'] :== 0.992;
2755     Q['Br'] :== 0.832;
2756     Q['CH-trip-C'] :== 1.088;
2757     Q['C-trip-C'] :== 0.784;
2758     Q['Me2SO'] :== 2.472;
2759     Q['Acry'] :== 2.052;
2760     Q['Cl(C=C)'] :== 0.724;
2761     Q['ACF'] :== 0.524;
2762     Q['DMF-1'] :== 2.736;
2763     Q['DMF-2'] :== 2.12;
2764     Q['CF3'] :== 1.38;
2765     Q['CF2'] :== 0.92;
2766     Q['CF'] :== 0.46;
2767     Q['COO'] :== 1.2;
2768     Q['SiH3'] :== 1.263;
2769     Q['SiH2'] :== 1.006;
2770     Q['SiH'] :== 0.749;
2771     Q['Si'] :== 0.41;
2772     Q['SiH2O'] :== 1.062;
2773     Q['SiHO'] :== 0.764;
2774     Q['SiO'] :== 0.466;
2775     Q['NMP'] :== 3.2;
2776     Q['tert-N'] :== 0.092;
2777     Q['Amide'] :== 1.336;
2778     Q['CON(Me)2'] :== 2.428;
2779     Q['CONMeCH2'] :== 2.12;
2780     Q['CON(CH2)2'] :== 1.812;
2781    
2782     METHODS
2783     METHOD check_self;
2784     END check_self;
2785     METHOD check_all;
2786     END check_all;
2787     METHOD default_self;
2788     END default_self;
2789     METHOD default_all;
2790     END default_all;
2791     METHOD specify;
2792     END specify;
2793     METHOD scale_self;
2794     END scale_self;
2795     METHOD scale_all;
2796     END scale_all;
2797     METHOD bound_self;
2798     END bound_self;
2799     METHOD bound_all;
2800     END bound_all;
2801     END UNIFAC_constants;
2802    
2803    
2804     MODEL component_constants(
2805     supported_components IS_A set OF symbol_constant;
2806     ) REFINES compmodel;
2807    
2808     rpp_index "Reid, Prausnitz, and Poling 5th ed. species index"
2809     IS_A integer_constant;
2810     formula "molecular formula" IS_A symbol_constant;
2811     subgroups IS_A set OF symbol_constant;
2812     groups "UNIFAC groups in the molecule" IS_A set OF integer_constant;
2813    
2814     wilson_set
2815     "molecules for which we have binary parameters with this species"
2816     IS_A set OF symbol_constant;
2817     uc IS_A UNIFAC_constants;
2818     mw "molecular weight" IS_A molar_weight_constant;
2819     Tb "normal boiling point" IS_A boiling_temperature;
2820     Tc "critical temperature" IS_A critical_temperature;
2821     Pc "critical pressure" IS_A critical_pressure;
2822     Vc "critical volume" IS_A critical_volume;
2823     Zc "critical compressibility" IS_A critical_compressibility;
2824     omega "Pitzer's acentric factor" IS_A acentric_factor;
2825     cpvapa "heat capacity coefficient" IS_A heat_capacity_a_constant;
2826     cpvapb "heat capacity coefficient" IS_A heat_capacity_b_constant;
2827     cpvapc "heat capacity coefficient" IS_A heat_capacity_c_constant;
2828     cpvapd "heat capacity coefficient" IS_A heat_capacity_d_constant;
2829     Hf "enthalpy of formation" IS_A enthalpy_of_formation_constant;
2830     Gf "free energy of formation" IS_A free_energy_of_formation_constant;
2831    
2832     vpa, vpb, vpc, vpd IS_A vapor_pressure_constant;
2833     vp_correlation "the vapor pressure correlation form"
2834     IS_A integer_constant;
2835     (* vpa, vpb, vpc, vpd are defined as wild real refinements.
2836     * They must be assigned values with appropriate units.
2837     * The values in RPP have units appropriate (but unstated)
2838     * to the vp_correlation specified.
2839     * For Equation 1: vpa, vpb, vpc, vpd are DIMENSIONLESS (no units).
2840     * For Equation 2: vpa, vpc are DIMENSIONLESS, vpb is in {K},
2841     * and vpd is {K^2/bar}.
2842     * For Equation 3: vpa DIMENSIONLESS, vpb, vpc are in {K}, vpd not used.
2843     *)
2844    
2845     Hv IS_A heat_of_vaporization_constant;
2846     Tliq "reference temperature for Vliq, lden" IS_A reference_temperature;
2847     Vliq "molar volume data point" IS_A reference_molar_volume;
2848     lden "density at standard conditions" IS_A reference_mass_density;
2849     T0 "standard temperature" IS_A reference_temperature;
2850     P0 "standard pressure" IS_A reference_pressure;
2851     H0 "standard enthalpy", G0 "standard free energy"
2852     IS_A reference_molar_energy;
2853     S0 "standard entropy" IS_A reference_molar_entropy;
2854    
2855     T0 :== 298.15{K};
2856     P0 :== 1.0{atm};
2857    
2858     (* data checked by: Jennifer L Perry 1/97 *)
2859    
2860     METHODS
2861    
2862     METHOD check_self;
2863     RUN uc.check_self;
2864     END check_self;
2865    
2866     METHOD check_all;
2867     RUN check_self;
2868     END check_all;
2869    
2870     METHOD default_self;
2871     RUN uc.default_self;
2872     END default_self;
2873    
2874     METHOD default_all;
2875     RUN default_self;
2876     END default_all;
2877    
2878     METHOD specify;
2879     RUN uc.specify;
2880     END specify;
2881    
2882     METHOD bound_self;
2883     RUN uc.bound_self;
2884     END bound_self;
2885    
2886     METHOD bound_all;
2887     RUN bound_self;
2888     END bound_all;
2889    
2890     METHOD scale_self;
2891     RUN uc.scale;
2892     END scale_self;
2893    
2894     METHOD scale_all;
2895     RUN scale_self;
2896     END scale_all;
2897    
2898     END component_constants;
2899    
2900     MODEL td_component_constants(
2901     component_name IS_A symbol_constant;
2902     ) WHERE (
2903     (component_name IN supported_components) == TRUE;
2904     ) REFINES component_constants(
2905     (* note: keep this list consistent with td_component_data_set *)
2906     (* each component name we support should be in the SELECT below *)
2907     supported_components :== [
2908     'hydrogen',
2909     'carbon_dioxide',
2910     'water',
2911     'chloroform',
2912     'methane',
2913     'methanol',
2914     'ethylene',
2915     'ethane',
2916     'ethanol',
2917     'propylene',
2918     'acetone',
2919     'propane',
2920     'propadiene',
2921     'n_propanol',
2922     'i_propanol',
2923     'ethylene_glycol',
2924     'n_butane',
2925     'i_butane',
2926     'butene_1',
2927     'n_butanol',
2928     'i_butanol',
2929     'n_pentane',
2930     'i_pentane',
2931     'benzene',
2932     'n_hexane',
2933     'toluene',
2934     'n_heptane',
2935     'styrene',
2936     'ethylbenzene',
2937     'n_octane',
2938     'diethylbenzene',
2939     'n_decane',
2940     'diphenyl',
2941     'pentanol_1',
2942     'dodecane',
2943     'chloro_benzene',
2944     'oxygen',
2945     'nitrogen'
2946     ];
2947     );
2948    
2949     nu[subgroups] "numbers of each UNIFAC group in the molecule"
2950     IS_A integer_constant;
2951     lambda[ wilson_set] IS_A Wilson_constant;
2952     del_ip[ wilson_set] IS_A Wilson_energy_constant;
2953     groups :== UNION[[uc.group[i]] | i IN subgroups];
2954    
2955     Vliq :== mw/lden;
2956     S0 :== (H0-G0)/T0;
2957     H0 :== Hf;
2958     G0 :== Gf;
2959     (* At some point we need to choose either Gf Or G0, etc and stay with it*)
2960    
2961     SELECT(component_name)
2962     (*No. 75 equilibrium_hydrogen*)
2963     CASE 'hydrogen':
2964     rpp_index :== 75;
2965     formula :== 'H2';
2966     subgroups :== [];
2967     wilson_set :== [];
2968     mw :== 2.016 {g/g_mole};
2969     Tb :== 20.3 {K};
2970     Tc :== 33.0 {K};
2971     Pc :== 12.9 {bar};
2972     Vc :== 64.3 {cm^3/g_mole};
2973     Zc :== 0.303;
2974     omega :== -0.216;
2975     cpvapa :== 27.14 {J/g_mole/K};
2976     cpvapb :== 9.274e+1 {J/g_mole/K^2};
2977     cpvapc :== -1.381e-5 {J/g_mole/K^3};
2978     cpvapd :== 7.645e-9 {J/g_mole/K^4};
2979     Hf :== 0.00 {J/g_mole};
2980     Gf :== 0.00 {J/g_mole};
2981     vpa :== -5.57929;
2982     vpb :== 2.60012;
2983     vpc :== -0.85506;
2984     vpd :== 1.70503;
2985     vp_correlation :== 1;
2986     Hv :== 216 {cal/g_mole};(*Reid, et.al 2nd ed.*)
2987     Tliq :== 20.0 {K};
2988     lden :== 0.071 {g/cm^3};
2989    
2990     (*No. 99*)
2991     CASE 'carbon_dioxide':
2992     rpp_index :== 99;
2993     formula :== 'CO2';
2994     subgroups :== [];
2995     wilson_set :== [];
2996     mw :== 44.010 {g/g_mole};
2997     Tb :== 194.7 {K}; (*Reid, et.al 2nd ed.*)
2998     Tc :== 304.1 {K};
2999     Pc :== 73.8 {bar};
3000     Vc :== 93.9 {cm^3/g_mole};
3001     Zc :== 0.274;
3002     omega :== 0.239;
3003     cpvapa :== 19.80 {J/g_mole/K};
3004     cpvapb :== 7.344e-2 {J/g_mole/K^2};
3005     cpvapc :== -5.602e-5 {J/g_mole/K^3};
3006     cpvapd :== 1.715e-8 {J/g_mole/K^4};
3007     Hf :== -3.938e+5 {J/g_mole};
3008     Gf :== -3.946e+5 {J/g_mole};
3009     vpa :== -6.95626;
3010     vpb :== 1.19695;
3011     vpc :== -3.12614;
3012     vpd :== 2.99448;
3013     vp_correlation :== 1;
3014     Hv :== 4100 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3015     Tliq :== 293 {K}; (*Reid, et.al 2nd ed.*)
3016     lden :== 0.777 {g/cm^3}; (*Reid, et.al 2nd ed.*)
3017    
3018     (*No. 77*)
3019     CASE 'water':
3020     rpp_index :== 77;
3021     formula :== 'H2O';
3022     subgroups :== ['H2O'];
3023     wilson_set :== ['CH3OH','(CH3)2CO','(CH3)2CHOH','C2H6O2','H2O'];
3024     mw :== 18.015 {g/g_mole};
3025     Tb :== 373.2 {K};
3026     Tc :== 647.3 {K};
3027     Pc :== 221.2 {bar};
3028     Vc :== 57.1 {cm^3/g_mole};
3029     Zc :== 0.235;
3030     omega :== 0.344;
3031     cpvapa :== 32.24 {J/g_mole/K};
3032     cpvapb :== 1.924e-3 {J/g_mole/K^2};
3033     cpvapc :== 1.055e-5 {J/g_mole/K^3};
3034     cpvapd :== -3.596e-9 {J/g_mole/K^4};
3035     Hf :== -2.420e+5 {J/g_mole};
3036     Gf :== -2.288e+5 {J/g_mole};
3037     vpa :== -7.76451;
3038     vpb :== 1.45838;
3039     vpc :== -2.77580;
3040     vpd :== -1.23303;
3041     vp_correlation :== 1;
3042     Hv :== 9717.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3043     Tliq :== 293.0 {K};
3044     lden :== 0.998 {g/cm^3};
3045     nu['H2O'] :== 1;
3046     lambda['CH3OH'] :== 0.94934;
3047     lambda['(CH3)2CO'] :== 0.40640;
3048     lambda['(CH3)2CHOH'] :== 0.78363;
3049     lambda['C2H6O2'] :== 1.35289;
3050     lambda['H2O'] :== 1.0;
3051     del_ip['(CH3)2CHOH'] :== 5085.76 {J/g_mole};
3052     del_ip['(CH3)2CO'] :== 5997.845 {J/g_mole};
3053     del_ip['CH3OH'] :== 2.0760E+002 {J/g_mole};
3054     del_ip['C2H6O2'] :== 3946.12 {J/g_mole};
3055     del_ip['H2O'] :== 0.0 {J/g_mole};
3056     (* No. 103 *)
3057     CASE 'chloroform':
3058    
3059     rpp_index :== 103;
3060     formula :== 'CHCl3';
3061     subgroups :== ['CHCl3'];
3062     wilson_set :== ['CHCl3','C6H6','(CH3)2CO'];
3063     mw :== 119.378 {g/g_mole};
3064     Tb :== 334.3 {K};
3065     Tc :== 536.4 {K};
3066     Pc :== 53.7 {bar};
3067     Vc :== 238.9 {cm^3/g_mole};
3068     Zc :== 0.293;
3069     omega :== 0.218;
3070     cpvapa :== 24.00 {J/g_mole/K};
3071     cpvapb :== 1.893e-1 {J/g_mole/K^2};
3072     cpvapc :== -1.841e-4 {J/g_mole/K^3};
3073     cpvapd :== 6.657e-8 {J/g_mole/K^4};
3074     Hf :== -1.013e+5 {J/g_mole};
3075     Gf :== -6.858e+4 {J/g_mole};
3076     vpa :== -6.95546;
3077     vpb :== 1.16625;
3078     vpc :== -2.13970;
3079     vpd :== -3.44421;
3080     vp_correlation :== 1;
3081     Hv :== 7100 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3082     Tliq :== 293.15 {K};
3083     lden :== 1.489 {g/cm^3};
3084    
3085     nu['CHCl3'] :== 1;
3086     lambda['(CH3)2CO'] :== 1.49288;
3087     lambda['C6H6'] :== 1.92309;
3088     lambda['CHCl3'] :== 1.0;
3089     del_ip['(CH3)2CO'] :== -1359.32 {J/g_mole};
3090     del_ip['C6H6'] :== -1638.28 {J/g_mole};
3091     del_ip['CHCl3'] :== 0.0 {J/g_mole};
3092    
3093     (* No. 116 *)
3094     CASE 'methane':
3095     rpp_index :== 116;
3096    
3097     formula :== 'CH4';
3098     subgroups :== ['CH3'];
3099     wilson_set :== [];
3100    
3101     mw :== 16.043 {g/g_mole};
3102     Tb :== 111.6 {K};
3103     Tc :== 190.4 {K};
3104     Pc :== 46.0 {bar};
3105     Vc :== 99.0 {cm^3/g_mole};
3106     Zc :== 0.288;
3107     omega :== 0.011;
3108     cpvapa :== 19.25 {J/g_mole/K};
3109     cpvapb :== 5.213e-2 {J/g_mole/K^2};
3110     cpvapc :== 1.197e-5 {J/g_mole/K^3};
3111     cpvapd :== -1.132e-8 {J/g_mole/K^4};
3112     Hf :== -7.490e+4 {J/g_mole};
3113     Gf :== -5.087e+4 {J/g_mole};
3114     vpa :== -6.00435;
3115     vpb :== 1.18850;
3116     vpc :== -0.83408;
3117     vpd :== -1.22833;
3118     vp_correlation :== 1;
3119     Hv :== 1955 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3120     Tliq :== 111.7 {K};
3121     lden :== 0.425 {g/cm^3};
3122    
3123     nu['CH3'] :== 1;
3124    
3125     (* No. 117 *)
3126     CASE 'methanol':
3127     rpp_index :== 117;
3128    
3129     formula :== 'CH3OH';
3130     subgroups :== ['CH3', 'OH'];
3131     wilson_set :== ['H2O','(CH3)2CO','CH3OH'];
3132    
3133     mw :== 32.042 {g/g_mole};
3134     Tb :== 337.7 {K};
3135     Tc :== 512.6 {K};
3136     Pc :== 80.9 {bar};
3137     Vc :== 118.0 {cm^3/g_mole};
3138     Zc :== 0.224;
3139     omega :== 0.556;
3140     cpvapa :== 21.15 {J/g_mole/K};
3141     cpvapb :== 7.092e-2 {J/g_mole/K^2};
3142     cpvapc :== 2.587e-5 {J/g_mole/K^3};
3143     cpvapd :== -2.852e-8 {J/g_mole/K^4};
3144     Hf :== -2.0133e+5 {J/g_mole};
3145     Gf :== -1.626e+5 {J/g_mole};
3146     vpa :== -8.54796;
3147     vpb :== 0.76982;
3148     vpc :== -3.10850;
3149     vpd :== 1.54481;
3150     vp_correlation :== 1;
3151     Hv :== 8426 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3152     Tliq :== 293 {K};
3153     lden :== 0.791 {g/cm^3};
3154    
3155     nu['CH3'] :== 1;
3156     nu['OH'] :== 1;
3157     lambda['H2O'] :== 0.43045;
3158     lambda['(CH3)2CO'] :== 0.77204;
3159     lambda['CH3OH'] :== 1.0;
3160     del_ip['(CH3)2CO'] :== 2.6493E+002 {J/g_mole};
3161     del_ip['H2O'] :== 1.1944E+002 {J/g_mole};
3162     del_ip['CH3OH'] :== 0.0 {J/g_mole};
3163    
3164    
3165     (* No. 155 *)
3166     CASE 'ethylene':
3167    
3168     rpp_index :== 155;
3169     formula :== 'C2H4';
3170     subgroups :== ['CH2=CH'];
3171     wilson_set :== [];
3172     mw :== 28.054 {g/g_mole};
3173     Tb :== 169.3 {K};
3174     Tc :== 282.4 {K};
3175     Pc :== 50.4 {bar};
3176     Vc :== 130.4 {cm^3/g_mole};
3177     Zc :== 0.280;
3178     omega :== 0.089;
3179     cpvapa :== 3.806 {J/g_mole/K};
3180     cpvapb :== 1.566e-1 {J/g_mole/K^2};
3181     cpvapc :== -8.348e-5 {J/g_mole/K^3};
3182     cpvapd :== 1.755e-8 {J/g_mole/K^4};
3183     Hf :== 5.234e+4 {J/g_mole};
3184     Gf :== 6.816e+4 {J/g_mole};
3185     vpa :== -6.32055;
3186     vpb :== 1.16819;
3187     vpc :== -1.55935;
3188     vpd :== -1.83552;
3189     vp_correlation :== 1;
3190     Hv :== 3237 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3191     Tliq :== 163{K};
3192     lden :== 0.577 {g/cm^3};
3193     nu['CH2=CH'] :== 1;
3194    
3195    
3196     (* No. 168 *)
3197     CASE 'ethane':
3198    
3199     rpp_index :== 168;
3200     formula :== 'C2H6';
3201     subgroups :== ['CH3'];
3202     wilson_set :== [];
3203     mw :== 30.070 {g/g_mole};
3204     Tb :== 184.6 {K};
3205     Tc :== 305.4 {K};
3206     Pc :== 48.8 {bar};
3207     Vc :== 148.3 {cm^3/g_mole};
3208     Zc :== 0.285;
3209     omega :== 0.099;
3210     cpvapa :== 5.409 {J/g_mole/K};
3211     cpvapb :== 1.781e-1 {J/g_mole/K^2};
3212     cpvapc :== -6.938e-5 {J/g_mole/K^3};
3213     cpvapd :== 8.713e-9 {J/g_mole/K^4};
3214     Hf :== -8.474e+4 {J/g_mole};
3215     Gf :== -3.295e+4 {J/g_mole};
3216     vpa :== -6.34307;
3217     vpb :== 1.01630;
3218     vpc :== -1.19116;
3219     vpd :== -2.03539;
3220     vp_correlation :== 1;
3221     Hv :== 3515 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3222     Tliq :== 183.0 {K};
3223     lden :== 0.548 {g/cm^3};
3224    
3225     nu['CH3'] :== 2;
3226    
3227    
3228     (* No. 170 *)
3229     CASE 'ethanol':
3230    
3231     rpp_index :== 170;
3232     formula :== 'C2H5OH';
3233     subgroups :== ['CH3', 'CH2', 'OH'];
3234     wilson_set :== [];
3235    
3236     mw :== 46.069 {g/g_mole};
3237     Tb :== 351.4 {K};
3238     Tc :== 513.9 {K};
3239     Pc :== 61.4 {bar};
3240     Vc :== 167.1 {cm^3/g_mole};
3241     Zc :== 0.240;
3242     omega :== 0.644;
3243     cpvapa :== 9.014 {J/g_mole/K};
3244     cpvapb :== 2.141e-1 {J/g_mole/K^2};
3245     cpvapc :== -8.390e-5 {J/g_mole/K^3};
3246     cpvapd :== 1.373e-9 {J/g_mole/K^4};
3247     Hf :== -2.350e+5 {J/g_mole};
3248     Gf :== -1.684e+5 {J/g_mole};
3249     vpa :== -8.51838;
3250     vpb :== 0.34163;
3251     vpc :== -5.73683;
3252     vpd :== 8.32581;
3253     vp_correlation :== 1;
3254     Hv :== 9260 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3255     Tliq :== 293.15 {K};
3256     lden :== 0.789 {g/cm^3};
3257    
3258     nu['CH3'] :== 1;
3259     nu['CH2'] :== 1;
3260     nu['OH'] :== 1;
3261    
3262     (* No. 194 *)
3263     CASE 'propylene':
3264    
3265     rpp_index :== 194;
3266     formula :== 'C3H6';
3267     subgroups :== ['CH3', 'CH2', 'CH'];
3268     wilson_set :== ['C3H4','C3H8','C3H6'];
3269    
3270     mw :== 42.081 {g/g_mole};
3271     Tb :== 225.5 {K};
3272     Tc :== 364.9 {K};
3273     Pc :== 46.0 {bar};
3274     Vc :== 181.0 {cm^3/g_mole};
3275     Zc :== 0.274;
3276     omega :== 0.144;
3277     cpvapa :== 3.710 {J/g_mole/K};
3278     cpvapb :== 2.345e-1 {J/g_mole/K^2};
3279     cpvapc :== -1.160e-4 {J/g_mole/K^3};
3280     cpvapd :== 2.205e-8 {J/g_mole/K^4};
3281     Hf :== 2.043e+4 {J/g_mole};
3282     Gf :== 6.276e+4 {J/g_mole};
3283     vpa :== -6.64231;
3284     vpb :== 1.21857;
3285     vpc :== -1.81005;
3286     vpd :== -2.48212;
3287     vp_correlation :== 1;
3288     Hv :== 4400 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3289     Tliq :== 223.0 {K};
3290     lden :== 0.612 {g/cm^3};
3291    
3292     nu['CH3'] :== 1;
3293     nu['CH2'] :== 1;
3294     nu['CH'] :== 1;
3295    
3296     lambda['C3H4'] :== 1.150;
3297     lambda['C3H8'] :== 1.057;
3298     lambda['C3H6'] :== 1.0;
3299    
3300     del_ip[wilson_set] :== MAX_REAL * 1e-12{J/g_mole};
3301    
3302     (* No. 196 *)
3303     CASE 'acetone':
3304    
3305     rpp_index :== 196;
3306     formula :== '(CH3)2CO';
3307     subgroups :== ['CH3', 'CH3CO'];
3308     wilson_set :== ['H2O','CH3OH','CHCl3','C6H6','(CH3)2CO'];
3309    
3310     mw :== 58.080 {g/g_mole};
3311     Tb :== 329.2 {K};
3312     Tc :== 508.1 {K};
3313     Pc :== 47.0 {bar};
3314     Vc :== 209.0 {cm^3/g_mole};
3315     Zc :== 0.232;
3316     omega :== 0.304;
3317     cpvapa :== 6.301 {J/g_mole/K};
3318     cpvapb :== 2.606e-1 {J/g_mole/K^2};
3319     cpvapc :== -1.253e-4 {J/g_mole/K^3};
3320     cpvapd :== 2.038e-8 {J/g_mole/K^4};
3321     Hf :== -2.177e+5 {J/g_mole};
3322     Gf :== -1.532e+5 {J/g_mole};
3323     vpa :== -7.45514;
3324     vpb :== 1.20200;
3325     vpc :== -2.43926;
3326     vpd :== -3.35590;
3327     vp_correlation :== 1;
3328     Hv :== 6960 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3329     Tliq :== 293.15{K};
3330     lden :== 0.790 {g/cm^3};
3331    
3332     nu['CH3'] :== 1;
3333     nu['CH3CO'] :== 1;
3334    
3335     lambda['H2O'] :== 0.16924;
3336     lambda['CH3OH'] :== 0.65675;
3337     lambda['CHCl3'] :== 1.29452;
3338     lambda['C6H6'] :== 0.75632;
3339     lambda['(CH3)2CO'] :== 1.0;
3340    
3341     del_ip['CH3OH'] :== 23.2321 {J/g_mole};
3342     del_ip['H2O'] :== 1674.817 {J/g_mole};
3343     del_ip['C6H6'] :== 1364.63 {J/g_mole};
3344     del_ip['CHCl3'] :== -468.831 {J/g_mole};
3345     del_ip['(CH3)2CO'] :== 0.0 {J/g_mole};
3346    
3347    
3348     (* No. 206 *)
3349     CASE 'propane':
3350    
3351     rpp_index :== 206;
3352     formula :== 'C3H8';
3353     subgroups :== ['CH3', 'CH2'];
3354     wilson_set :== ['C3H4','C3H8','C3H6'];
3355    
3356     mw :== 44.094 {g/g_mole};
3357     Tb :== 231.1 {K};
3358     Tc :== 369.8 {K};
3359     Pc :== 42.5 {bar};
3360     Vc :== 203.0 {cm^3/g_mole};
3361     Zc :== 0.281;
3362     omega :== 0.153;
3363     cpvapa :== -4.224 {J/g_mole/K};
3364     cpvapb :== 3.063e-1 {J/g_mole/K^2};
3365     cpvapc :== -1.586e-4 {J/g_mole/K^3};
3366     cpvapd :== 3.215e-8 {J/g_mole/K^4};
3367     Hf :== -1.039e+5 {J/g_mole};
3368     Gf :== -2.349e+4 {J/g_mole};
3369     vpa :== -6.72219;
3370     vpb :== 1.33236;
3371     vpc :== -2.13868;
3372     vpd :== -1.38551;
3373     Hv :== 4487 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3374     Tliq :== 231.0 {K};
3375     lden :== 0.582 {g/cm^3};
3376     vp_correlation :== 1;
3377    
3378     nu['CH3'] :== 2;
3379     nu['CH2'] :== 1;
3380    
3381     lambda['C3H4'] :== 1.439;
3382     lambda['C3H8'] :== 1.0;
3383     lambda['C3H6'] :== 1.062;
3384     (* we don't have this data yet *)
3385     FOR w IN wilson_set CREATE
3386     del_ip[w] :== MAX_REAL*1e-12{J/g_mole};
3387     END FOR;
3388    
3389     (* No. 185 *)
3390     CASE 'propadiene':
3391    
3392    
3393     rpp_index :== 185;
3394     formula :== 'C3H4';
3395     subgroups :== ['CH2', 'CH2=C'];
3396     wilson_set :== ['C3H4','C3H8','C3H6'];
3397    
3398     mw :== 40.065 {g/g_mole};
3399     Tb :== 238.7 {K};
3400     Tc :== 393.0 {K};
3401     Pc :== 54.7 {bar};
3402     Vc :== 162.0 {cm^3/g_mole};
3403     Zc :== 0.271;
3404     omega :== 0.313;
3405     cpvapa :== 9.906 {J/g_mole/K};
3406     cpvapb :== 1.977e-1 {J/g_mole/K^2};
3407     cpvapc :== -1.182e-4 {J/g_mole/K^3};
3408     cpvapd :== 2.782e-8 {J/g_mole/K^4};
3409     Hf :== 1.923e5 {J/g_mole};
3410     Gf :== 2.025e5 {J/g_mole};
3411     vpa :== 6.5361;
3412     vpb :== 1054.72{K};
3413     vpc :== -77.08{K};
3414     vpd :== 0;
3415     vp_correlation :== 3;
3416     Hv :== 4450.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3417     lden :== 0.658 {g/cm^3};
3418     Tliq :== 238.0 {K};
3419    
3420     nu['CH2'] :== 2;
3421     nu['CH2=C'] :== 2;
3422    
3423     lambda['C3H4'] :== 1.0;
3424     lambda['C3H8'] :== 1.353;
3425     lambda['C3H6'] :== 1.136;
3426    
3427     FOR w IN wilson_set CREATE
3428     (* we don't have this data yet *)
3429     del_ip[w] :== MAX_REAL * 1e-12{J/g_mole};
3430     END FOR;
3431    
3432     (* No. 207 n_propanol *)
3433     CASE 'n_propanol':
3434    
3435     rpp_index :== 207;
3436     formula :== 'C3H7OH';
3437     subgroups :== ['CH3', 'CH2', 'OH'];
3438     wilson_set :== [];
3439    
3440     mw :== 60.096 {g/g_mole};
3441     Tb :== 370.4 {K};
3442     Tc :== 536.7 {K};
3443     Pc :== 51.7 {bar};
3444     Vc :== 218.5 {cm^3/g_mole};
3445     Zc :== 0.253;
3446     omega :== 0.623;
3447     cpvapa :== 2.470 {J/g_mole/K};
3448     cpvapb :== 3.325e-1 {J/g_mole/K^2};
3449     cpvapc :== -1.855e-4 {J/g_mole/K^3};
3450     cpvapd :== 4.296e-8 {J/g_mole/K^4};
3451     Hf :== -2.566e+5 {J/g_mole};
3452     Gf :== -1.619e+5 {J/g_mole};
3453     vpa :== -8.05594;
3454     vpb :== 0.0425183;
3455     vpc :== -7.51296;
3456     vpd :== 6.89004;
3457     vp_correlation :== 1;
3458     Hv :== 9980 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3459     lden :== 0.804 {g/cm^3};
3460     Tliq :== 293.0 {K};
3461    
3462     nu['CH3'] :== 1;
3463     nu['CH2'] :== 2;
3464     nu['OH'] :== 1;
3465    
3466     (* No. 208 isopropyl alcohol *)
3467     CASE 'i_propanol':
3468     rpp_index :== 208;
3469    
3470     formula :== '(CH3)2CHOH';
3471     subgroups :== ['CH3', 'CH', 'OH'];
3472     wilson_set :== ['H2O','C2H6O2','(CH3)2CHOH'];
3473     mw :== 60.096 {g/g_mole};
3474     Tb :== 355.4 {K};
3475     Tc :== 508.3 {K};
3476     Pc :== 47.6 {bar};
3477     Vc :== 220.0 {cm^3/g_mole};
3478     Zc :== 0.248;
3479     omega :== 0.665;
3480     cpvapa :== 32.43 {J/g_mole/K};
3481     cpvapb :== 1.885e-1 {J/g_mole/K^2};
3482     cpvapc :== 6.406e-5 {J/g_mole/K^3};
3483     cpvapd :== -9.261e-8 {J/g_mole/K^4};
3484     Hf :== -2.726e+5 {J/g_mole};
3485     Gf :== -1.177e+5 {J/g_mole};
3486     vpa :== -8.16927;
3487     vpb :== -0.0943213;
3488     vpc :== -8.10040;
3489     vpd :== 7.85000;
3490     vp_correlation :== 1;
3491     Hv :== 9520 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3492     lden :== 0.786 {g/cm^3};
3493     Tliq :== 293.0 {K};
3494    
3495     nu['CH3'] :== 2;
3496     nu['CH'] :== 1;
3497     nu['OH'] :== 1;
3498     lambda['H2O'] :== 0.03094;
3499     lambda['C2H6O2'] :== 1.80740;
3500     lambda['(CH3)2CHOH'] :== 1.0;
3501     del_ip['H2O'] :== 6255.66 {J/g_mole};
3502     del_ip['C2H6O2'] :== -1319.20 {J/g_mole};
3503     del_ip['(CH3)2CHOH'] :== 0.0 {J/g_mole};
3504    
3505     (* No 171 *)
3506     CASE 'ethylene_glycol':
3507    
3508     rpp_index :== 171;
3509     formula :== 'C2H6O2';
3510     subgroups :== ['CH2','OH'];
3511     wilson_set :== ['H2O','(CH3)2CHOH','C2H6O2'];
3512    
3513     mw :== 62.069 {g/g_mole};
3514     Tb :== 470.5 {K};
3515     Tc :== 645 {K};
3516     Pc :== 77 {bar};
3517     Vc :== 55.71723{cm^3/g_mole};
3518     Zc :== 0.270;
3519     omega :== (0.9145 + 1.20)/2; (*Calculated using Perry's, p. 3-257*)
3520     cpvapa :== 3.570e+1 {J/g_mole/K};
3521     cpvapb :== 2.483e-1 {J/g_mole/K^2};
3522     cpvapc :== -1.497e-4 {J/g_mole/K^3};
3523     cpvapd :== 3.010e-8 {J/g_mole/K^4};
3524     Hf :== -3.896e5 {J/g_mole};
3525     Gf :== -3.047e5 {J/g_mole};
3526     vpa :== 13.6299;
3527     vpb :== 6022.18{K};
3528     vpc :== -28.25{K};
3529     vpd :== 0;
3530     vp_correlation :== 3;
3531     Hv :== 12550.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3532     lden :== 1.114 {g/cm^3};
3533     Tliq :== 293.0 {K};
3534    
3535     nu['CH2'] :== 2;
3536     nu['OH'] :== 2;
3537    
3538     lambda['H2O'] :== 0.42861;
3539     lambda['(CH3)2CHOH'] :== 0.23018;
3540     lambda['C2H6O2'] :== 1.0;
3541    
3542     del_ip['H2O'] :== -2661.746 {J/g_mole};
3543     del_ip['(CH3)2CHOH'] :== 2167.164 {J/g_mole};
3544     del_ip['C2H6O2'] :== 0.0 {J/g_mole};
3545    
3546    
3547     (* No. 258 *)
3548     CASE 'n_butane':
3549    
3550     rpp_index :== 258;
3551     formula :== 'C4H10';
3552     subgroups :== ['CH3', 'CH2'];
3553     wilson_set :== [];
3554    
3555     mw :== 58.124 {g/g_mole};
3556     Tb :== 272.7 {K};
3557     Tc :== 425.2 {K};
3558     Pc :== 38.0 {bar};
3559     Vc :== 255 {cm^3/g_mole};
3560     Zc :== 0.274;
3561     omega :== 0.199;
3562     cpvapa :== 9.487 {J/g_mole/K};
3563     cpvapb :== 3.313e-1 {J/g_mole/K^2};
3564     cpvapc :== -1.108e-4 {J/g_mole/K^3};
3565     cpvapd :== -2.822e-9 {J/g_mole/K^4};
3566     Hf :== -1.262e+5 {J/g_mole};
3567     Gf :== -1.610e+4 {J/g_mole};
3568     vpa :== -6.88709;
3569     vpb :== 1.15157;
3570     vpc :== -1.99873;
3571     vpd :== -3.13003;
3572     vp_correlation :== 1;
3573     Hv :== 5352 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3574     lden :== 0.579 {g/cm^3};
3575     Tliq :== 293.0 {K};
3576    
3577     nu['CH3'] :== 2;
3578     nu['CH2'] :== 2;
3579    
3580     (* No. 259 isobutane*)
3581     CASE 'i_butane':
3582    
3583     rpp_index :== 259;
3584     formula :== '(CH3)3CH';
3585     subgroups :== ['CH3', 'CH'];
3586     wilson_set :== [];
3587    
3588     mw :== 58.124 {g/g_mole};
3589     Tb :== 261.4 {K};
3590     Tc :== 408.2 {K};
3591     Pc :== 36.5 {bar};
3592     Vc :== 263 {cm^3/g_mole};
3593     Zc :== 0.283;
3594     omega :== 0.183;
3595     cpvapa :== -1.390 {J/g_mole/K};
3596     cpvapb :== 3.847e-1 {J/g_mole/K^2};
3597     cpvapc :== -1.846e-4 {J/g_mole/K^3};
3598     cpvapd :== 2.895e-8 {J/g_mole/K^4};
3599     Hf :== -1.346e+5 {J/g_mole};
3600     Gf :== -2.090e+4 {J/g_mole};
3601     vpa :== -6.95579;
3602     vpb :== 1.50090;
3603     vpc :== -2.52717;
3604     vpd :== -1.49776;
3605     vp_correlation :== 1;
3606     Hv :== 5090 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3607     lden :== 0.557 {g/cm^3};
3608     Tliq :== 293.0 {K};
3609    
3610     nu['CH3'] :== 3;
3611     nu['CH'] :== 1;
3612    
3613     (* No. 236 *)
3614     CASE 'butene_1':
3615    
3616     rpp_index :== 236;
3617     formula :== 'C4H8';
3618     subgroups :== ['CH3','CH2','CH'];
3619     wilson_set :== [];
3620    
3621     mw :== 56.108 {g/g_mole};
3622     Tb :== 266.9 {K};
3623     Tc :== 419.6 {K};
3624     Pc :== 40.2 {bar};
3625     Vc :== 240 {cm^3/g_mole};
3626     Zc :== 0.277;
3627     omega :== 0.191;
3628     cpvapa :== -2.994 {J/g_mole/K};
3629     cpvapb :== 3.532e-1 {J/g_mole/K^2};
3630     cpvapc :== -1.990e-4 {J/g_mole/K^3};
3631     cpvapd :== 4.463e-8 {J/g_mole/K^4};
3632     Hf :== -37.5e+3 {J/g_mole};
3633     Gf :== 7.134e+4 {J/g_mole};
3634     vpa :== -6.88204;
3635     vpb :== 1.27051;
3636     vpc :== -2.26284;
3637     vpd :== -2.61632;
3638     vp_correlation :== 1;
3639     Hv :== 5352 {cal/g_mole}; (*Reid, et.al 2nd ed.*)(* need to find this *)
3640     lden :== 0.595 {g/cm^3};
3641     Tliq :== 293.0 {K};
3642    
3643     nu['CH3'] :== 1;
3644     nu['CH2'] :== 2;
3645     nu['CH'] :== 1;
3646    
3647     (* No. 260*)
3648     CASE 'n_butanol':
3649    
3650     rpp_index :== 260;
3651     formula :== 'C4H9OH';
3652     subgroups :== ['CH3', 'CH2', 'OH'];
3653     wilson_set :== [];
3654    
3655     mw :== 74.123 {g/g_mole};
3656     Tb :== 390.9 {K};
3657     Tc :== 563.1 {K};
3658     Pc :== 44.2 {bar};
3659     Vc :== 274.0 {cm^3/g_mole};
3660     Zc :== 0.259;
3661     omega :== 0.593;
3662     cpvapa :== 3.266 {J/g_mole/K};
3663     cpvapb :== 4.180e-1 {J/g_mole/K^2};
3664     cpvapc :== -2.242e-4 {J/g_mole/K^3};
3665     cpvapd :== 4.685e-8 {J/g_mole/K^4};
3666     Hf :== -2.749e+5 {J/g_mole};
3667     Gf :== -1.509e+5 {J/g_mole};
3668     vpa :== -8.00756;
3669     vpb :== 0.53783;
3670     vpc :== -9.34240;
3671     vpd :== 6.68692;
3672     vp_correlation :== 1;
3673     Hv :== 10300 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3674     lden :== 0.810 {g/cm^3};
3675     Tliq :== 293 {K};
3676    
3677     nu['CH3'] :== 1;
3678     nu['CH2'] :== 3;
3679     nu['OH'] :== 1;
3680    
3681    
3682     (* No. 262 isobutanol*)
3683     CASE 'i_butanol':
3684    
3685     rpp_index :== 262;
3686     formula :== '(CH3)2CHCH2OH';
3687     subgroups :== ['CH3','CH2','CH','OH'];
3688     wilson_set :== [];
3689    
3690    
3691     mw :== 74.123 {g/g_mole};
3692     Tb :== 381.0 {K};
3693     Tc :== 547.8 {K};
3694     Pc :== 43.0 {bar};
3695     Vc :== 273 {cm^3/g_mole};
3696     Zc :== 0.257;
3697     omega :== 0.592;
3698     cpvapa :== -7.708 {J/g_mole/K};
3699     cpvapb :== 4.689e-1 {J/g_mole/K^2};
3700     cpvapc :== -2.884e-4 {J/g_mole/K^3};
3701     cpvapd :== 7.231e-8 {J/g_mole/K^4};
3702     Hf :== -2.834e+5 {J/g_mole};
3703     Gf :== -1.674e+5 {J/g_mole};
3704     vpa :== 10.2510;
3705     vpb :== 2874.73{K};
3706     vpc :== -100.3{K};
3707     vpd :== 0;
3708     vp_correlation :== 3;
3709     Hv :== 10050 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3710     lden :== 0.802 {g/cm^3};
3711     Tliq :== 293.0 {K};
3712    
3713     nu['CH3'] :== 2;
3714     nu['CH2'] :== 1;
3715     nu['CH'] :== 1;
3716     nu['OH'] :== 1;
3717    
3718    
3719     (* No. 311 *)
3720     CASE 'n_pentane':
3721    
3722    
3723     rpp_index :== 311;
3724     formula :== 'C5H12';
3725     subgroups :== ['CH3', 'CH2'];
3726     wilson_set :== [];
3727    
3728     mw :== 72.151 {g/g_mole};
3729     Tb :== 309.2 {K};
3730     Tc :== 469.7 {K};
3731     Pc :== 33.7 {bar};
3732     Vc :== 304 {cm^3/g_mole};
3733     Zc :== 0.263;
3734     omega :== 0.251;
3735     cpvapa :== -3.626 {J/g_mole/K};
3736     cpvapb :== 4.873e-1 {J/g_mole/K^2};
3737     cpvapc :== -2.580e-4 {J/g_mole/K^3};
3738     cpvapd :== 5.305e-8 {J/g_mole/K^4};
3739     Hf :== -1.465e+5 {J/g_mole};
3740     Gf :== -8.370e+3 {J/g_mole};
3741     vpa :== -7.28936;
3742     vpb :== 1.53679;
3743     vpc :== -3.08367;
3744     vpd :== -1.02456;
3745     vp_correlation :== 1;
3746     Hv :== 6160 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3747     lden :== 0.626 {g/cm^3};
3748     Tliq :== 293.0 {K};
3749    
3750     nu['CH3'] :== 2;
3751     nu['CH2'] :== 3;
3752    
3753    
3754     (* No. 312 2-methyl butane*)
3755     CASE 'i_pentane':
3756    
3757     rpp_index :== 312;
3758     formula :== 'C2H5CH(CH3)2';
3759     subgroups :== ['CH3', 'CH2', 'CH'];
3760     wilson_set :== [];
3761    
3762     mw :== 72.151 {g/g_mole};
3763     Tb :== 301.0 {K};
3764     Tc :== 460.4 {K};
3765     Pc :== 33.9 {bar};
3766     Vc :== 306 {cm^3/g_mole};
3767     Zc :== 0.271;
3768     omega :== 0.227;
3769     cpvapa :== -9.525 {J/g_mole/K};
3770     cpvapb :== 5.066e-1 {J/g_mole/K^2};
3771     cpvapc :== -2.729e-4 {J/g_mole/K^3};
3772     cpvapd :== 5.723e-8 {J/g_mole/K^4};
3773     Hf :== -1.546e+5 {J/g_mole};
3774     Gf :== -1.482e+4 {J/g_mole};
3775     vpa :== -7.12727;
3776     vpb :== 1.38996;
3777     vpc :== -2.54302;
3778     vpd :== -2.45657;
3779     vp_correlation :== 1;
3780     Hv :== 5900 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3781     lden :== 0.620 {g/cm^3};
3782     Tliq :== 293.0{K};
3783    
3784     nu['CH3'] :== 3;
3785     nu['CH2'] :== 1;
3786     nu['CH'] :== 1;
3787    
3788    
3789     (* No. 343 *)
3790     CASE 'benzene':
3791    
3792     rpp_index :== 343;
3793     formula :== 'C6H6';
3794     subgroups :== ['ACH'];
3795     wilson_set :== ['CHCl3','C6H6','(CH3)2CO'];
3796    
3797     mw :== 78.114 {g/g_mole};
3798     Tb :== 353.2 {K};
3799     Tc :== 562.2 {K};
3800     Pc :== 48.9 {bar};
3801     Vc :== 259 {cm^3/g_mole};
3802     Zc :== 0.271;
3803     omega :== 0.212;
3804     cpvapa :== -3.392e+1 {J/g_mole/K};
3805     cpvapb :== 4.739e-1 {J/g_mole/K^2};
3806     cpvapc :== -3.017e-4 {J/g_mole/K^3};
3807     cpvapd :== 7.130e-8 {J/g_mole/K^4};
3808     Hf :== 8.298e+4 {J/g_mole};
3809     Gf :== 1.297e+5 {J/g_mole};
3810     vpa :== -6.98273;
3811     vpb :== 1.33213;
3812     vpc :== -2.62863;
3813     vpd :== -3.33399;
3814     vp_correlation :== 1;
3815     Hv :== 7352 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3816     lden :== 0.885 {g/cm^3};
3817     Tliq :== 289.0{K};
3818    
3819     nu['ACH'] :== 6;
3820     lambda['CHCl3'] :== 0.52431;
3821     lambda['(CH3)2CO'] :== 0.87629;
3822     lambda['C6H6'] :== 1.0;
3823     del_ip['CHCl3'] :== 1614.0 {J/g_mole};
3824     del_ip['(CH3)2CO'] :== -156.458 {J/g_mole};
3825     del_ip['C6H6'] :== 0.0 {J/g_mole};
3826    
3827    
3828     (* No. 379 *)
3829     CASE 'n_hexane':
3830    
3831     rpp_index :== 379;
3832     formula :== 'C6H14';
3833     subgroups :== ['CH3', 'CH2'];
3834     wilson_set :== [];
3835    
3836    
3837     mw :== 86.178 {g/g_mole};
3838     Tb :== 341.9 {K};
3839     Tc :== 507.5 {K};
3840     Pc :== 30.1 {bar};
3841     Vc :== 370 {cm^3/g_mole};
3842     Zc :== 0.264;
3843     omega :== 0.299;
3844     cpvapa :== -4.413 {J/g_mole/K};
3845     cpvapb :== 5.820e-1 {J/g_mole/K^2};
3846     cpvapc :== -3.119e-4 {J/g_mole/K^3};
3847     cpvapd :== 6.494e-8 {J/g_mole/K^4};
3848     Hf :== -1.673e+5 {J/g_mole};
3849     Gf :== -1.670e+2 {J/g_mole};
3850     vpa :== -7.46765;
3851     vpb :== 1.44211;
3852     vpc :== -3.28222;
3853     vpd :== -2.50941;
3854     vp_correlation :== 1;
3855     Hv :== 6896 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3856     lden :== 0.659 {g/cm^3};
3857     Tliq :== 293.0{K};
3858    
3859     nu['CH3'] :== 2;
3860     nu['CH2'] :== 4;
3861    
3862    
3863     (* No. 400*)
3864     CASE 'toluene':
3865    
3866     rpp_index :== 400;
3867     formula :== 'C6H5CH3';
3868     subgroups :== ['ACH', 'ACCH3'];
3869     wilson_set :== [];
3870    
3871     mw :== 92.141 {g/g_mole};
3872     Tb :== 383.8 {K};
3873     Tc :== 591.8 {K};
3874     Pc :== 41.0 {bar};
3875     Vc :== 316 {cm^3/g_mole};
3876     Zc :== 0.263;
3877     omega :== 0.263;
3878     cpvapa :== -2.435e+1 {J/g_mole/K};
3879     cpvapb :== 5.125e-1 {J/g_mole/K^2};
3880     cpvapc :== -2.765e-4 {J/g_mole/K^3};
3881     cpvapd :== 4.911e-8 {J/g_mole/K^4};
3882     Hf :== 5.003e+4 {J/g_mole};
3883     Gf :== 1.221e+5 {J/g_mole};
3884     vpa :== -7.28607;
3885     vpb :== 1.38091;
3886     vpc :== -2.83433;
3887     vpd :== -2.79168;
3888     vp_correlation :== 1;
3889     Hv :== 7930 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3890     Tliq :== 293.0{K};
3891     lden :== 0.867 {g/cm^3};
3892    
3893     nu['ACH'] :== 5;
3894     nu['ACCH3'] :== 1;
3895    
3896    
3897     (* No. 429 *)
3898     CASE 'n_heptane':
3899    
3900     rpp_index :== 429;
3901     formula :== 'C7H16';
3902     subgroups :== ['CH3', 'CH2'];
3903     wilson_set :== [];
3904    
3905     mw :== 100.205 {g/g_mole};
3906     Tb :== 371.6 {K};
3907     Tc :== 540.3 {K};
3908     Pc :== 27.4 {bar};
3909     Vc :== 432 {cm^3/g_mole};
3910     Zc :== 0.263;
3911     omega :== 0.349;
3912     cpvapa :== -5.146 {J/g_mole/K};
3913     cpvapb :== 6.762e-1 {J/g_mole/K^2};
3914     cpvapc :== -3.651e-4 {J/g_mole/K^3};
3915     cpvapd :== 7.658e-8 {J/g_mole/K^4};
3916     Hf :== -1.879e+5 {J/g_mole};
3917     Gf :== 8.000e+3 {J/g_mole};
3918     vpa :== -7.67468;
3919     vpb :== 1.37068;
3920     vpc :== -3.53620;
3921     vpd :== -3.20243;
3922     vp_correlation :== 1;
3923     Hv :== 7576 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3924     lden :== 0.684 {g/cm^3};
3925     Tliq :== 293.0{K};
3926    
3927     nu['CH3'] :== 2;
3928     nu['CH2'] :== 5;
3929    
3930    
3931     (* No. 440 *)
3932     CASE 'styrene':
3933    
3934     rpp_index :== 440;
3935     formula :== 'C6H5C2H3';
3936     subgroups :== ['ACH', 'AC', 'CH2=CH'];
3937     wilson_set :== [];
3938    
3939     mw :== 104.152 {g/g_mole};
3940     Tb :== 418.3 {K};
3941     Tc :== 647 {K};
3942     Pc :== 39.9 {bar};
3943     Vc :== 350.55 {cm^3/g_mole};(*Not sure about Vc Zc*)
3944     Zc :== 0.260;
3945     omega :== 0.257;
3946     cpvapa :== -2.825e+1 {J/g_mole/K};
3947     cpvapb :== 6.159e-1 {J/g_mole/K^2};
3948     cpvapc :== -4.023e-4 {J/g_mole/K^3};
3949     cpvapd :== 9.935e-8 {J/g_mole/K^4};
3950     Hf :== 1.475e+5 {J/g_mole};
3951     Gf :== 2.139e+5 {J/g_mole};
3952     vpa :== -7.15981;
3953     vpb :== 1.78861;
3954     vpc :== -5.10359;
3955     vpd :== 1.63749;
3956     vp_correlation :== 1;
3957     Hv :== 8800 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3958     lden :== 0.906 {g/cm^3};
3959     Tliq :== 293.15{K};
3960    
3961     nu['ACH'] :== 5;
3962     nu['AC'] :== 1;
3963     nu['CH2=CH'] :== 1;
3964    
3965    
3966     (* No. 447 *)
3967     CASE 'ethylbenzene':
3968    
3969     rpp_index :== 447;
3970     formula :== 'C6H5C2H5';
3971     subgroups :== ['ACH', 'ACCH2', 'CH3'];
3972     wilson_set :== [];
3973    
3974     mw :== 106.168 {g/g_mole};
3975     Tb :== 409.3 {K};
3976     Tc :== 617.2 {K};
3977     Pc :== 36.0 {bar};
3978     Vc :== 374 {cm^3/g_mole};
3979     Zc :== 0.262;
3980     omega :== 0.302;
3981     cpvapa :== -4.310e1 {J/g_mole/K};
3982     cpvapb :== 7.072e-1 {J/g_mole/K^2};
3983     cpvapc :== -4.811e-4 {J/g_mole/K^3};
3984     cpvapd :== 1.301e-7 {J/g_mole/K^4};
3985     Hf :== 2.981e4 {J/g_mole};
3986     Gf :== 1.307e5 {J/g_mole};
3987     vpa :== -7.48645;
3988     vpb :== 1.45488;
3989     vpc :== -3.37538;
3990     vpd :== -2.23048;
3991     vp_correlation :== 1;
3992     Hv :== 8500 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
3993     lden :== 0.867 {g/cm^3};
3994     Tliq :== 293{K};
3995    
3996     nu['ACH'] :== 5;
3997     nu['ACCH2'] :== 1;
3998     nu['CH3'] :== 1;
3999    
4000    
4001     (* No. 483 *)
4002     CASE 'n_octane':
4003    
4004     rpp_index :== 483;
4005     formula :== 'C8H18';
4006     subgroups :== ['CH3', 'CH2'];
4007     wilson_set :== [];
4008    
4009     mw :== 114.232 {g/g_mole};
4010     Tb :== 398.8 {K};
4011     Tc :== 568.8 {K};
4012     Pc :== 24.9 {bar};
4013     Vc :== 492.0 {cm^3/g_mole};
4014     Zc :== 0.259;
4015     omega :== 0.398;
4016     cpvapa :== -6.096 {J/g_mole/K};
4017     cpvapb :== 7.712e-1 {J/g_mole/K^2};
4018     cpvapc :== -4.195e-4 {J/g_mole/K^3};
4019     cpvapd :== 8.855e-8 {J/g_mole/K^4};
4020     Hf :== -2.086e5 {J/g_mole};
4021     Gf :== 1.640e4 {J/g_mole};
4022     vpa :== -7.91211;
4023     vpb :== 1.38007;
4024     vpc :== -3.80435;
4025     vpd :== -4.50132;
4026     vp_correlation :== 1;
4027     Hv :== 8225 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
4028     lden :== 0.703 {g/cm^3};
4029     Tliq :== 293.0{K};
4030    
4031     nu['CH3'] :== 2;
4032     nu['CH2'] :== 6;
4033    
4034    
4035     (* No. 552 *)
4036     CASE 'diethylbenzene':
4037    
4038     rpp_index :== 552;
4039     formula :== 'C6H4(C2H5)2';
4040     subgroups :== ['ACH', 'ACCH2', 'CH3'];
4041     wilson_set :== [];
4042    
4043     mw :== 134.222 {g/g_mole};
4044     Tb :== 456.9 {K};
4045     Tc :== 657.9 {K};
4046     Pc :== 28.0 {bar};
4047     Vc :== 480.0 {cm^3/g_mole};(*Not sure about Vc Zc*)
4048     Zc :== 0.25;
4049     omega :== 0.404;
4050     cpvapa :== -3.742e+1 {J/g_mole/K};
4051     cpvapb :== 8.671e-1 {J/g_mole/K^2};
4052     cpvapc :== -5.560e-4 {J/g_mole/K^3};
4053     cpvapd :== 1.411e-7 {J/g_mole/K^4};
4054     Hf :== -2.227e+4 {J/g_mole};
4055     Gf :== 1.380e+5 {J/g_mole};
4056     vpa :== -8.11413;
4057     vpb :== 1.77697;
4058     vpc :== -4.43960;
4059     vpd :== -1.47477;
4060     vp_correlation :== 1;
4061     Hv :== 9410 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
4062     lden :== 0.862 {g/cm^3};
4063     Tliq :== 293 {K};
4064    
4065     nu['ACH'] :== 4;
4066     nu['ACCH2'] :== 2;
4067     nu['CH3'] :== 2;
4068    
4069    
4070     (* No. 567 *)
4071     CASE 'n_decane':
4072    
4073     rpp_index :== 567;
4074     formula :== 'C10H22';
4075     subgroups :== ['CH3', 'CH2'];
4076     wilson_set :== [];
4077    
4078     mw :== 142.286 {g/g_mole};
4079     Tb :== 447.3 {K};
4080     Tc :== 617.7 {K};
4081     Pc :== 21.2 {bar};
4082     Vc :== 603.0 {cm^3/g_mole};
4083     Zc :== 0.249;
4084     omega :== 0.489;
4085     cpvapa :== -7.913 {J/g_mole/K};
4086     cpvapb :== 9.609e-1 {J/g_mole/K^2};
4087     cpvapc :== -5.288e-4 {J/g_mole/K^3};
4088     cpvapd :== 1.131e-7 {J/g_mole/K^4};
4089     Hf :== -2.498e5 {J/g_mole};
4090     Gf :== 3.324e4 {J/g_mole};
4091     vpa :== -8.56523;
4092     vpb :== 1.97756;
4093     vpc :== -5.81971;
4094     vpd :== -0.29982;
4095     vp_correlation :== 1;
4096     Hv :== 9388 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
4097     lden :== 0.730 {g/cm^3};
4098     Tliq :== 293.0 {K};
4099    
4100     nu['CH3'] :== 2;
4101     nu['CH2'] :== 8;
4102    
4103    
4104     (* No. 579 *)
4105     CASE 'diphenyl':
4106    
4107     rpp_index :== 579;
4108     formula :== '(C6H5)2';
4109     subgroups :== ['ACH', 'AC'];
4110     wilson_set :== [];
4111    
4112     mw :== 154.212 {g/g_mole};
4113     Tb :== 529.3 {K};
4114     Tc :== 789.0 {K};
4115     Pc :== 38.5 {bar};
4116     Vc :== 502.0 {cm^3/g_mole};
4117     Zc :== 0.295;
4118     omega :== 0.372;
4119     cpvapa :== -9.707e+1 {J/g_mole/K};
4120     cpvapb :== 1.106 {J/g_mole/K^2};
4121     cpvapc :== -8.855e-4 {J/g_mole/K^3};
4122     cpvapd :== 2.790e-7 {J/g_mole/K^4};
4123     Hf :== 1.822e+5 {J/g_mole};
4124     Gf :== 2.803e+5 {J/g_mole};
4125     vpa :== -7.6740;
4126     vpb :== 1.23008;
4127     vpc :== -3.67908;
4128     vpd :== -2.29172;
4129     vp_correlation :== 1;
4130     Hv :== 10900 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
4131     lden :== 0.990 {g/cm^3};
4132     Tliq :== 347 {K};
4133     nu['ACH'] :== 10;
4134     nu['AC'] :== 2;
4135    
4136    
4137     (* No. 314 1_pentanol*)
4138     CASE 'pentanol_1':
4139    
4140     rpp_index :== 314;
4141     formula :== 'C5H12O';
4142     subgroups :== ['CH3', 'CH2', 'OH'];
4143     wilson_set :== [];
4144    
4145     mw :== 88.150 {g/g_mole};
4146     Tb :== 411.1 {K};
4147     Tc :== 588.2 {K};
4148     Pc :== 39.1 {bar};
4149     Vc :== 326.0 {cm^3/g_mole};
4150     Zc :== 0.260;
4151     omega :== 0.579;
4152     cpvapa :== 3.869 {J/g_mole/K};
4153     cpvapb :== 0.5045 {J/g_mole/K^2};
4154     cpvapc :== -2.639e-04 {J/g_mole/K^3};
4155     cpvapd :== 5.120e-08 {J/g_mole/K^4};
4156     Hf :== -2.989e05 {J/g_mole};
4157     Gf :== -1.461e05 {J/g_mole};
4158     vpa :== -8.97725;
4159     vpb :== 2.99791;
4160     vpc :== -12.9596;
4161     vpd :== 8.84205;
4162     vp_correlation :== 1;
4163     Hv :== 10600.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
4164     lden :== 0.815 {g/cm^3};
4165     Tliq :== 293.0 {K};
4166    
4167     nu['CH2'] :== 4;
4168     nu['CH3'] :== 1;
4169     nu['OH'] :== 1;
4170    
4171     (* No. 584 *)
4172    
4173     CASE 'dodecane':
4174    
4175     rpp_index :==584;
4176     formula :== 'C12H26';
4177     subgroups :== ['CH3', 'CH2'];
4178     wilson_set :== [];
4179    
4180     mw :== 170.34 {g/g_mole};
4181     Tb :== 489.5 {K};
4182     Tc :== 658.2 {K};
4183     Pc :== 18.2 {bar};
4184     Vc :== 713.0 {cm^3/g_mole};
4185     Zc :== 0.24;
4186     omega :== 0.575;
4187     cpvapa :== -9.328 {J/g_mole/K};
4188     cpvapb :== 1.149 {J/g_mole/K^2};
4189     cpvapc :== -6.347e-4 {J/g_mole/K^3};
4190     cpvapd :== 1.359e-7 {J/g_mole/K^4};
4191     Hf :== -2.911e5 {J/g_mole};
4192     Gf :== 5.007e4 {J/g_mole};
4193     vpa :== 77.628;
4194     vpb :== 10012.5 {K};
4195     vpc :== -9.236;
4196     vpd :== 10030 {K^2/bar};
4197     vp_correlation :== 2;
4198     Hv :== 9388 {cal/g_mole}; (*Reid, et.al 2nd ed.*)(* need to find this *)
4199     lden :== 0.748 {g/cm^3};
4200     Tliq :== 293.0 {K};
4201    
4202     nu['CH3'] :== 2;
4203     nu['CH2'] :== 10;
4204    
4205     (* No. 340*)
4206     CASE 'chloro_benzene':
4207    
4208     rpp_index :== 340;
4209     formula :== 'C6H5Cl';
4210     subgroups :== ['ACH', 'AC'];
4211     wilson_set :== [];
4212    
4213     mw :== 112.559 {g/g_mole};
4214     Tb :== 404.9 {K};
4215     Tc :== 632.4 {K};
4216     Pc :== 45.2 {bar};
4217     Vc :== 308.0 {cm^3/g_mole};
4218     Zc :== 0.265;
4219     omega :== 0.249;
4220     cpvapa :== -33.89 {J/g_mole/K};
4221     cpvapb :== 0.5631 {J/g_mole/K^2};
4222     cpvapc :== -4.522e-04 {J/g_mole/K^3};
4223     cpvapd :== 1.426e-07 {J/g_mole/K^4};
4224     Hf :== 5.187e04 {J/g_mole};
4225     Gf :== 9.923e04 {J/g_mole};
4226     vp_correlation :== 1;
4227     vpa :== -7.5870;
4228     vpb :== 2.26551;
4229     vpc :== -4.09418;
4230     vpd :== 0.17038;
4231     Hv :== 8735.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
4232     lden :== 1.106 {g/cm^3};
4233     Tliq :== 293.0 {K};
4234    
4235     nu['ACH'] :== 5;
4236     nu['AC'] :== 1;
4237    
4238    
4239     (* added from art *)
4240     CASE 'oxygen':
4241    
4242     rpp_index :== 59;
4243     formula :== 'O2';
4244     subgroups :== [];
4245     wilson_set :== [];
4246    
4247     mw :== 31.999 {g/g_mole};
4248     Tb :== 90.2 {K};
4249     Tc :== 154.6 {K};
4250     Pc :== 50.4 {bar};
4251     Vc :== 73.4 {cm^3/g_mole};
4252     Zc :== 0.288;
4253     omega :== 0.025;
4254     cpvapa :== 2.811e1 {cal/g_mole/K};
4255     cpvapb :== -3.680e-6 {cal/g_mole/K^2};
4256     cpvapc :== 1.746e-5 {cal/g_mole/K^3};
4257     cpvapd :== -1.065e-8 {cal/g_mole/K^4};
4258     Hf :== 0.00 {J/g_mole};
4259     Gf :== 0.00 {J/g_mole};
4260     vpa :== -6.28275;
4261     vpb :== 1.73619;
4262     vpc :== -1.81349;
4263     vpd :== -2.53645e-2;
4264     vp_correlation :== 1;
4265     Hv :== 1630 {cal/g_mole};
4266     Tliq :== 90 {K};
4267     lden:== 1.149 {g/cm^3};
4268    
4269    
4270     CASE 'nitrogen':
4271    
4272     rpp_index :== 56;
4273     formula :== 'N2';
4274     subgroups :== [];
4275     wilson_set :== [];
4276    
4277     mw :== 28.013 {g/g_mole};
4278     Tb :== 77.4 {K};
4279     Tc :== 126.2 {K};
4280     Pc :== 33.9 {bar};
4281     Vc :== 89.8 {cm^3/g_mole};
4282     Zc :== 0.290;
4283     omega :== 0.039;
4284     cpvapa :== 3.115e1 {cal/g_mole/K};
4285     cpvapb :== -1.357e-2 {cal/g_mole/K^2};
4286     cpvapc :== 2.680e-5 {cal/g_mole/K^3};
4287     cpvapd :== -1.168e-8 {cal/g_mole/K^4};
4288     Hf :== 0.00 {J/g_mole};
4289     Gf :== 0.00 {J/g_mole};
4290     vp_correlation :== 1;
4291     vpa :== -6.09676;
4292     vpb :== 1.13670;
4293     vpc :== -1.04072;
4294     vpd :== -1.93306;
4295     Hv :== 1333 {cal/g_mole};
4296     Tliq :== 78 {K};
4297     lden :== 0.804 {g/cm^3};
4298    
4299     END SELECT; (* select component_name*)
4300    
4301     END td_component_constants;
4302    
4303     MODEL basic_components_data (
4304     components IS_A set OF symbol_constant;
4305     reference IS_A symbol_constant;
4306     ) WHERE (
4307     ((CARD[components] == 1) OR (reference != 'hydrogen'));
4308     (* because it is the 0, which is rotten to scale equations. *)
4309     ) REFINES compmodel;
4310     other_components "species other than the reference species"
4311     IS_A set OF symbol_constant;
4312     other_components :== [components - [reference]];
4313    
4314     END basic_components_data;
4315    
4316     MODEL components_data(
4317     components "species in the mixture" IS_A set OF symbol_constant;
4318     reference "a species from components, usually the heaviest"
4319     IS_A symbol_constant;
4320     ) WHERE (
4321     ((CARD[components] == 1) OR (reference != 'hydrogen'));
4322     (* because it is the 0, which is rotten to scale equations. *)
4323     (reference IN components) == TRUE;
4324     FOR i IN components CHECK
4325     (* note: keep this list consistent with td_component_constants CASES *)
4326     (i IN ['hydrogen', 'carbon_dioxide', 'water', 'chloroform',
4327     'methane', 'methanol', 'ethylene', 'ethane',
4328     'ethanol', 'propylene', 'acetone', 'propane',
4329     'propadiene', 'n_propanol', 'i_propanol',
4330     'ethylene_glycol', 'n_butane', 'i_butane','butene_1',
4331     'n_butanol', 'i_butanol', 'n_pentane', 'i_pentane',
4332     'benzene', 'n_hexane', 'toluene', 'n_heptane',
4333     'styrene', 'ethylbenzene', 'n_octane',
4334     'diethylbenzene', 'n_decane', 'diphenyl',
4335     'pentanol_1','dodecane', 'chloro_benzene', 'oxygen',
4336     'nitrogen' ]) == TRUE;
4337     END FOR;
4338     ) REFINES basic_components_data;
4339    
4340     FOR i IN components CREATE
4341     data[i] "data package for each component i"
4342     IS_A td_component_constants(i);
4343     END FOR;
4344    
4345     END components_data;
4346    
4347     MODEL test_components() REFINES testcmumodel();
4348    
4349     tc "dummy MODEL built to get the 'supported_components' list"
4350     IS_A td_component_constants('hydrogen');
4351    
4352     ds "test MODEL to compile all the defined species"
4353     IS_A components_data(
4354     tc.supported_components,
4355     CHOICE[tc.supported_components-['hydrogen']]);
4356    
4357     METHODS
4358    
4359     METHOD values;
4360     END values;
4361    
4362     END test_components;

john.pye@anu.edu.au
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