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1 REQUIRE "atoms.a4l";
2 (* --> system.a4l, measures.a4l *)
3 PROVIDE "bencomponents.a4l";
4 (*********************************************************************\
5 components.lib
6 by Joseph J. Zaher
7 Part of the Ascend Library
8
9 This file is part of the Ascend modeling library.
10
11 Copyright (C) 1994 Joseph J Zaher
12 Copyright (C) 1997 Benjamin Andrew Allan
13
14 The Ascend modeling library is free software; you can redistribute
15 it and/or modify it under the terms of the GNU General Public License as
16 published by the Free Software Foundation; either version 2 of the
17 License, or (at your option) any later version.
18
19 The Ascend Language Interpreter is distributed in hope that it will be
20 useful, but WITHOUT ANY WARRANTY; without even the implied warranty of
21 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
22 General Public License for more details.
23
24 You should have received a copy of the GNU General Public License along with
25 the program; if not, write to the Free Software Foundation, Inc., 675
26 Mass Ave, Cambridge, MA 02139 USA. Check the file named COPYING.
27
28 \*********************************************************************)
29
30 (*********************************************************************\
31 $Date: 1998/06/01 15:43:23 $
32 $Revision: 1.1 $
33 $Author: ballan $
34 $Source: /afs/cs.cmu.edu/project/ascend/Repository/models/ben/bencomponents.a4l,v $
35 \*********************************************************************)
36 (**
37 **
38 ** C O M P O N E N T S . L I B
39 ** ----------------------------------------
40 **
41 ** AUTHOR: Joseph J. Zaher
42 **
43 ** DATES: 07/91 - Original code.
44 ** 02/92 - Made compatible with new set version of ASCEND.
45 ** Expanded data base, revised vapor pressure data,
46 ** and added UNIFAC group and subgroup sets with help
47 ** of Bob Huss.
48 ** 07/92 - Expanded data base with help of Kay C. Dee.
49 ** 08/92 - Replaced name attribute of each component with a
50 ** formula attribute. Component names are free to be
51 ** specified by the user.
52 ** 03/94 - Made compatible with gnu-ascend.
53 ** 08/94 - Made compatible with H,G or H,S thermo library,
54 ** and with Wilson models written by Boyd Safrit.
55 ** 02/96 - Made compatible with ASCEND IV. Ben Allan.
56 ** 01/97 - Addition OF td_component_constants by _____
57 ** 01/97 - All constants checked by Jennifer Perry
58 ** 03/97 - Added container models for data groups. BAA.
59 **
60 **
61 ** CONTENTS: ASCEND structure for component physical property constants.
62 ** All anticipated constants which may be used by the models
63 ** of "thermodynamics.lib" are created in a general model where
64 ** a consistent reference state (298.15{K} and 1.0{atm}) is
65 ** chosen. Specific refinements to actual chemical species are
66 ** made UNIVERSAL to ensure only one instantiation of the
67 ** constants for each component is maintained throughout a
68 ** user's simulation. A reference enthalpy and entropy is
69 ** chosen by default to be those of formation of the component
70 ** from its elements at the reference state.
71 **
72 **
73 **)
74
75 (* Wilson pairs checked by Boyd
76 i_propanol-water
77 i_propanol-ethylene_glycol
78 ethylene_glycol-water
79 acetone-chloroform
80 acetone-benzene
81 acetone-methanol
82 methanol-water
83 benzene-chloroform
84 propadiene-propylene provided by Vince Verneulli OF Sim Sci
85 propadiene-propane provided by Vince Verneulli OF Sim Sci
86 propylene-propane provided by Vince Verneulli OF Sim Sci
87 *)
88
89 MODEL compmodel() REFINES cmumodel();
90 END compmodel;
91
92 UNIVERSAL MODEL UNIFAC_constants() REFINES compmodel;
93
94 (*
95 REFERENCE:
96 The reference for the bulk of this MODEL is
97 Reid, Prausnitz & Poling, Properties of Gases and Liquids,
98 1986, Chapter 8.
99 DISCLAIMER:
100 The authors of ASCEND and Carnegie Mellon University make
101 absolutely NO WARRANTY about the accuracy of this transcription
102 of the RPP data or of the original data itself, nor do they
103 provide any guarantee that the data here represented is
104 suitable for any purpose academic or commercial.
105 NOTES:
106 The frontiers of group contribution methods have moved on
107 well past the data presented here and the correlations
108 it is used with. Users with a penchant for thermodynamic
109 detail are advised to MODEL their own favorite correlations.
110 COMMON USAGE:
111 The local name of every instance of this MODEL
112 (since it is UNIVERSAL) should always be uc.
113 In the comments that follow, we will use uc where applicable.
114 ANNOTATED:
115 10/96 Ben Allan
116 *)
117
118
119 groups IS_A set OF integer_constant;
120 (*
121 uc.groups is the main group list (the ones we support) from RPP
122 Table 8.21 column 1.
123 Currently supported groups are (in RPP Main index)
124 1,2,3,4,5,6,7,8,9,23, and 11
125 *)
126 groups :== [1..9,11,23];
127
128 (*
129 uc.sub[i IN uc.groups] is the set of secondary groups for the ith
130 main group. This is the column 2 data of RPP Table 8-21.
131 The UNION of uc.sub[i] is uc. subgroups, basically the set of
132 rows in Table 8-21 that we have entered.
133 *)
134 sub[groups] IS_A set OF symbol_constant;
135 sub[1] :== ['CH3', 'CH2', 'CH', 'C'];
136 sub[2] :== ['CH2=CH', 'CH=CH', 'CH2=C', 'CH=C', 'C=C'];
137 sub[3] :== ['ACH', 'AC'];
138 sub[4] :== ['ACCH3', 'ACCH2', 'ACCH'];
139 sub[5] :== ['OH'];
140 sub[6] :== ['CH3OH'];
141 sub[7] :== ['H2O'];
142 sub[8] :== ['ACOH'];
143 sub[9] :== ['CH3CO', 'CH2CO'];
144 sub[23] :== ['CHCl3', 'CCl3'];
145 sub[11] :== ['CH3COO', 'CH2COO'];
146 subgroups IS_A set OF symbol_constant;
147
148 (*
149 uc. subgroups is the total list of secondary groups we accomodate.
150 *)
151 subgroups :== UNION[sub[i] | i IN groups];
152 group[subgroups] IS_A integer_constant;
153 (*
154 Next we have a horribly named array, group, that lets us look up the
155 main group given a particular subgroup. So, for example,
156 if we want to know the main group of 'CHCl3', then
157 group['CHCl3'] will give it to us: 'CCl3'.
158 Note, then, that the assignments which follow in most
159 cases expand to have several left-hand-sides.
160 *)
161 FOR i IN groups CREATE
162 group[sub[i]] :== i;
163 END FOR;
164
165 a[groups][groups] IS_A UNIFAC_a;
166 (*
167 Now we have uc.a[m][n], a portion of RPP Table 8-22, the main group
168 interaction matrix which is asymmetric and in principle
169 dense but in practice rather sparse.
170 Adding a main group to this MODEL means adding a row and
171 column to uc.a, which is a non-trivial exercise until we
172 get a proper tabular assignment syntax implemented.
173 Note that such an syntax has been completely scoped but
174 we've just not yet got round to implementation.
175 When we do implement, this will be the first test MODEL.
176 a[i][j] should have i and j being integer_constant!
177 *)
178
179 (* we would like the ascend TABLE syntax or a database
180 * external lookup to handle this data entry.
181 *)
182 (* row 1 *)
183 a[1][1] :== 0.0{K};
184 a[1][2] :== 86.020{K};
185 a[1][3] :== 61.13{K};
186 a[1][4] :== 76.50{K};
187 a[1][5] :== 986.5{K};
188 a[1][6] :== 697.2{K};
189 a[1][7] :== 1318.0{K};
190 a[1][8] :== 1333.0{K};
191 a[1][9] :== 476.4{K};
192 a[1][23] :== 24.90{K};
193 a[1][11] :== 232.1{K};
194
195 (* row 2 *)
196 a[2][1] :== 2520{K};
197 a[2][2] :== 0.0{K};
198 a[2][3] :== 340.7{K};
199 a[2][4] :== 4102{K};
200 a[2][5] :== 693.9{K};
201 a[2][6] :== 1509.0{K};
202 a[2][7] :== 634.2{K};
203 a[2][8] :== 547.4{K};
204 a[2][9] :== 524.5{K};
205 a[2][23] :== 4584.0{K};
206 a[2][11] :== 71.23{K};
207
208 (* row 3 *)
209 a[3][1] :== -11.12{K};
210 a[3][2] :== 3.446{K};
211 a[3][3] :== 0.0{K};
212 a[3][4] :== 167.0{K};
213 a[3][5] :== 636.10{K};
214 a[3][6] :== 637.3{K};
215 a[3][7] :== 903.8{K};
216 a[3][8] :== 1329.0{K};
217 a[3][9] :== 25.77{K};
218 a[3][23] :== -231.9{K};
219 a[3][11] :== 5.994{K};
220
221 (* row 4 *)
222 a[4][1] :== -69.70{K};
223 a[4][2] :== -113.6{K};
224 a[4][3] :== -146.80{K};
225 a[4][4] :== 0.0{K};
226 a[4][5] :== 803.20{K};
227 a[4][6] :== 603.2{K};
228 a[4][7] :== 5695.00{K};
229 a[4][8] :== 547.4{K};
230 a[4][9] :== -52.10{K};
231 a[4][23] :== -12.14{K};
232 a[4][11] :== 5688.0{K};
233
234 (* row 5 *)
235 a[5][1] :== 156.40{K};
236 a[5][2] :== 475.000{K};
237 a[5][3] :== 89.60{K};
238 a[5][4] :== 25.82{K};
239 a[5][5] :== 0.0{K};
240 a[5][6] :== -137.1{K};
241 a[5][7] :== 353.50{K};
242 a[5][8] :== -259.7{K};
243 a[5][9] :== 84.0{K};
244 a[5][23] :== -98.12{K};
245 a[5][11] :== 101.1{K};
246
247 (* row 6 *)
248 a[6][1] :== 16.51{K};
249 a[6][2] :== -12.520{K};
250 a[6][3] :== -50.00{K};
251 a[6][4] :== -44.50{K};
252 a[6][5] :== 249.1{K};
253 a[6][6] :== 0.0{K};
254 a[6][7] :== -181.0{K};
255 a[6][8] :== -101.7{K};
256 a[6][9] :== 23.39{K};
257 a[6][23] :== -139.4{K};
258 a[6][11] :== -10.72{K};
259
260 (* row 7 *)
261 a[7][1] :== 300.00{K};
262 a[7][2] :== 496.100{K};
263 a[7][3] :== 362.30{K};
264 a[7][4] :== 377.60{K};
265 a[7][5] :== -229.10{K};
266 a[7][6] :== 289.6{K};
267 a[7][7] :== 0.0{K};
268 a[7][8] :== 324.5{K};
269 a[7][9] :== -195.40{K};
270 a[7][23] :== 353.7{K};
271 a[7][11] :== 14.42{K};
272
273 (* row 8 *)
274 a[8][1] :== 275.8{K};
275 a[8][2] :== 217.5{K};
276 a[8][3] :== 25.34{K};
277 a[8][4] :== 244.2{K};
278 a[8][5] :== -451.6{K};
279 a[8][6] :== -265.2{K};
280 a[8][7] :== -601.8{K};
281 a[8][8] :== 0.0{K};
282 a[8][9] :== -356.1{K};
283 a[8][23] :== 0.0{K};
284 a[8][11] :== -449.4{K};
285
286 (* row 9 *)
287 a[9][1] :== 26.76{K};
288 a[9][2] :== 42.920{K};
289 a[9][3] :== 140.10{K};
290 a[9][4] :== 365.80{K};
291 a[9][5] :== 164.5{K};
292 a[9][6] :== 108.7{K};
293 a[9][7] :== 472.5{K};
294 a[9][8] :== -133.1{K};
295 a[9][9] :== 0.0{K};
296 a[9][23] :== -354.6{K};
297 a[9][11] :== -213.7{K};
298
299 (* row 23 *)
300 a[23][1] :== 36.70{K};
301 a[23][2] :== 51.060{K};
302 a[23][3] :== 288.5{K};
303 a[23][4] :== 33.61{K};
304 a[23][5] :== 742.1{K};
305 a[23][6] :== 649.1{K};
306 a[23][7] :== 826.7{K};
307 a[23][8] :== 0.0{K};
308 a[23][9] :== 552.1{K};
309 a[23][23] :== 0.0{K};
310 a[23][11] :== 176.5{K};
311
312 (* row 11 *)
313 a[11][1] :== 114.8{K};
314 a[11][2] :== 132.1{K};
315 a[11][3] :== 85.84{K};
316 a[11][4] :== -170.0{K};
317 a[11][5] :== 245.4{K};
318 a[11][6] :== 249.6{K};
319 a[11][7] :== 10000.0{K};
320 a[11][8] :== -36.72{K};
321 a[11][9] :== 372.2{K};
322 a[11][23] :== -209.7{K};
323 a[11][11] :== 0.0{K};
324
325 R[subgroups], Q[subgroups] IS_A UNIFAC_size;
326 (*
327 R and Q are the unifac volume and surface contributions,
328 indexed by subgroup, columns 4 & 5 in RPP Table 8-21
329 *)
330 R['CH3'] :== 0.9011;
331 R['CH2'] :== 0.6744;
332 R['CH'] :== 0.4469;
333 R['C'] :== 0.2195;
334 R['CH2=CH'] :== 1.3454;
335 R['CH=CH'] :== 1.1167;
336 R['CH2=C'] :== 1.1173;
337 R['CH=C'] :== 0.8886;
338 R['C=C'] :== 0.6605;
339 R['ACH'] :== 0.5313;
340 R['AC'] :== 0.3652;
341 R['ACCH3'] :== 1.2663;
342 R['ACCH2'] :== 1.0396;
343 R['ACCH'] :== 0.8121;
344 R['OH'] :== 1.000;
345 R['CH3OH'] :== 1.4311;
346 R['H2O'] :== 0.9200;
347 R['ACOH'] :== 0.8952;
348 R['CH3CO'] :== 1.6724;
349 R['CH2CO'] :== 1.4457;
350 R['CHCl3'] :== 2.87007;
351 R['CCl3'] :== 2.6401;
352 R['CH3COO'] :== 1.9031;
353 R['CH2COO'] :== 1.6764;
354
355 Q['CH3'] :== 0.848;
356 Q['CH2'] :== 0.540;
357 Q['CH'] :== 0.228;
358 Q['C'] :== 0.0;
359 Q['CH2=CH'] :== 1.176;
360 Q['CH=CH'] :== 0.867;
361 Q['CH2=C'] :== 0.988;
362 Q['CH=C'] :== 0.676;
363 Q['C=C'] :== 0.485;
364 Q['ACH'] :== 0.40;
365 Q['AC'] :== 0.120;
366 Q['ACCH3'] :== 0.968;
367 Q['ACCH2'] :== 0.660;
368 Q['ACCH'] :== 0.348;
369 Q['OH'] :== 1.200;
370 Q['CH3OH'] :== 1.432;
371 Q['H2O'] :== 1.400;
372 Q['ACOH'] :== 0.680;
373 Q['CH3CO'] :== 1.488;
374 Q['CH2CO'] :== 1.180;
375 Q['CHCl3'] :== 2.410;
376 Q['CCl3'] :== 2.184;
377 Q['CH3COO'] :== 1.728;
378 Q['CH2COO'] :== 1.420;
379
380 END UNIFAC_constants;
381
382
383 MODEL component_constants(
384 supported_components IS_A set OF symbol_constant;
385 ) REFINES compmodel;
386
387 rpp_index IS_A integer_constant; (* reid prausnitz and poling # *)
388 formula IS_A symbol_constant;
389 subgroups IS_A set OF symbol_constant;
390 groups IS_A set OF integer_constant;
391
392 wilson_set IS_A set OF symbol_constant;
393 uc IS_A UNIFAC_constants;
394 mw IS_A molar_weight_constant;
395 Tb IS_A boiling_temperature;
396 Tc IS_A critical_temperature;
397 Pc IS_A critical_pressure;
398 Vc IS_A critical_volume;
399 Zc IS_A critical_compressibility;
400 omega IS_A acentric_factor;
401 cpvapa IS_A heat_capacity_a_constant;
402 cpvapb IS_A heat_capacity_b_constant;
403 cpvapc IS_A heat_capacity_c_constant;
404 cpvapd IS_A heat_capacity_d_constant;
405 Hf IS_A enthalpy_of_formation_constant;
406 Gf IS_A free_energy_of_formation_constant;
407
408 vpa, vpb, vpc, vpd IS_A vapor_pressure_constant;
409 vp_correlation IS_A integer_constant;
410 (* vpa, vpb, vpc, vpd are defined as wild real refinements.
411 * They must be assigned values with appropriate units.
412 * The values in RPP have units appropriate (but unstated)
413 * to the vp_correlation specified.
414 * For Equation 1: vpa, vpb, vpc, vpd are DIMENSIONLESS (no units).
415 * For Equation 2: vpa, vpc are DIMENSIONLESS, vpb is in {K},
416 * and vpd is {K^2/bar}.
417 * For Equation 3: vpa DIMENSIONLESS, vpb, vpc are in {K}, vpd not used.
418 *)
419
420 Hv IS_A heat_of_vaporization_constant;
421 Tliq IS_A reference_temperature;
422 Vliq IS_A reference_molar_volume;
423 lden IS_A reference_mass_density;
424 T0 IS_A reference_temperature;
425 P0 IS_A reference_pressure;
426 H0, G0 IS_A reference_molar_energy;
427 S0 IS_A reference_molar_entropy;
428
429 T0 :== 298.15{K};
430 P0 :== 1.0{atm};
431
432 (* data checked by: Jennifer L Perry 1/97 *)
433
434 END component_constants;
435
436 MODEL td_component_constants(
437 component_name IS_A symbol_constant;
438 ) WHERE (
439 (component_name IN supported_components) == TRUE;
440 ) REFINES component_constants(
441 (* note: keep this list consistent with td_component_data_set *)
442 (* each component name we support should be in the SELECT below *)
443 supported_components :== [
444 'hydrogen',
445 'carbon_dioxide',
446 'water',
447 'chloroform',
448 'methane',
449 'methanol',
450 'ethylene',
451 'ethane',
452 'ethanol',
453 'propylene',
454 'acetone',
455 'propane',
456 'propadiene',
457 'n_propanol',
458 'i_propanol',
459 'ethylene_glycol',
460 'n_butane',
461 'i_butane',
462 'n_butanol',
463 'i_butanol',
464 'n_pentane',
465 'i_pentane',
466 'benzene',
467 'n_hexane',
468 'toluene',
469 'n_heptane',
470 'styrene',
471 'ethylbenzene',
472 'n_octane',
473 'diethylbenzene',
474 'n_decane',
475 'diphenyl',
476 'pentanol_1',
477 'chloro_benzene',
478 'oxygen',
479 'nitrogen'
480 ];
481 );
482
483 nu[subgroups] IS_A integer_constant;
484 lambda[ wilson_set] IS_A Wilson_constant;
485 del_ip[ wilson_set] IS_A Wilson_energy_constant;
486 groups :== UNION[[uc.group[i]] | i IN subgroups];
487
488 Vliq :== mw/lden;
489 S0 :== (H0-G0)/T0;
490 H0 :== Hf;
491 G0 :== Gf;
492 (* At some point we need to choose either Gf Or G0, etc and stay with it*)
493
494 SELECT(component_name)
495 (*No. 75 equilibrium_hydrogen*)
496 CASE 'hydrogen':
497 rpp_index :== 75;
498 formula :== 'H2';
499 subgroups :== [];
500 wilson_set :== [];
501 mw :== 2.016 {g/g_mole};
502 Tb :== 20.3 {K};
503 Tc :== 33.0 {K};
504 Pc :== 12.9 {bar};
505 Vc :== 64.3 {cm^3/g_mole};
506 Zc :== 0.303;
507 omega :== -0.216;
508 cpvapa :== 27.14 {J/g_mole/K};
509 cpvapb :== 9.274e+1 {J/g_mole/K^2};
510 cpvapc :== -1.381e-5 {J/g_mole/K^3};
511 cpvapd :== 7.645e-9 {J/g_mole/K^4};
512 Hf :== 0.00 {J/g_mole};
513 Gf :== 0.00 {J/g_mole};
514 vpa :== -5.57929;
515 vpb :== 2.60012;
516 vpc :== -0.85506;
517 vpd :== 1.70503;
518 vp_correlation :== 1;
519 Hv :== 216 {cal/g_mole};(*Reid, et.al 2nd ed.*)
520 Tliq :== 20.0 {K};
521 lden :== 0.071 {g/cm^3};
522
523 (*No. 99*)
524 CASE 'carbon_dioxide':
525 rpp_index :== 99;
526 formula :== 'CO2';
527 subgroups :== [];
528 wilson_set :== [];
529 mw :== 44.010 {g/g_mole};
530 Tb :== 194.7 {K}; (*Reid, et.al 2nd ed.*)
531 Tc :== 304.1 {K};
532 Pc :== 73.8 {bar};
533 Vc :== 93.9 {cm^3/g_mole};
534 Zc :== 0.274;
535 omega :== 0.239;
536 cpvapa :== 19.80 {J/g_mole/K};
537 cpvapb :== 7.344e-2 {J/g_mole/K^2};
538 cpvapc :== -5.602e-5 {J/g_mole/K^3};
539 cpvapd :== 1.715e-8 {J/g_mole/K^4};
540 Hf :== -3.938e+5 {J/g_mole};
541 Gf :== -3.946e+5 {J/g_mole};
542 vpa :== -6.95626;
543 vpb :== 1.19695;
544 vpc :== -3.12614;
545 vpd :== 2.99448;
546 vp_correlation :== 1;
547 Hv :== 4100 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
548 Tliq :== 293 {K}; (*Reid, et.al 2nd ed.*)
549 lden :== 0.777 {g/cm^3}; (*Reid, et.al 2nd ed.*)
550
551 (*No. 77*)
552 CASE 'water':
553 rpp_index :== 77;
554 formula :== 'H2O';
555 subgroups :== ['H2O'];
556 wilson_set :== ['CH3OH','(CH3)2CO','(CH3)2CHOH','C2H6O2','H2O'];
557 mw :== 18.015 {g/g_mole};
558 Tb :== 373.2 {K};
559 Tc :== 647.3 {K};
560 Pc :== 221.2 {bar};
561 Vc :== 57.1 {cm^3/g_mole};
562 Zc :== 0.235;
563 omega :== 0.344;
564 cpvapa :== 32.24 {J/g_mole/K};
565 cpvapb :== 1.924e-3 {J/g_mole/K^2};
566 cpvapc :== 1.055e-5 {J/g_mole/K^3};
567 cpvapd :== -3.596e-9 {J/g_mole/K^4};
568 Hf :== -2.420e+5 {J/g_mole};
569 Gf :== -2.288e+5 {J/g_mole};
570 vpa :== -7.76451;
571 vpb :== 1.45838;
572 vpc :== -2.77580;
573 vpd :== -1.23303;
574 vp_correlation :== 1;
575 Hv :== 9717.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
576 Tliq :== 293.0 {K};
577 lden :== 0.998 {g/cm^3};
578 nu['H2O'] :== 1;
579 lambda['CH3OH'] :== 0.94934;
580 lambda['(CH3)2CO'] :== 0.40640;
581 lambda['(CH3)2CHOH'] :== 0.78363;
582 lambda['C2H6O2'] :== 1.35289;
583 lambda['H2O'] :== 1.0;
584 del_ip['(CH3)2CHOH'] :== 5085.76 {J/g_mole};
585 del_ip['(CH3)2CO'] :== 5997.845 {J/g_mole};
586 del_ip['CH3OH'] :== 2.0760E+002 {J/g_mole};
587 del_ip['C2H6O2'] :== 3946.12 {J/g_mole};
588 del_ip['H2O'] :== 0.0 {J/g_mole};
589 (* No. 103 *)
590 CASE 'chloroform':
591
592 rpp_index :== 103;
593 formula :== 'CHCl3';
594 subgroups :== ['CHCl3'];
595 wilson_set :== ['CHCl3','C6H6','(CH3)2CO'];
596 mw :== 119.378 {g/g_mole};
597 Tb :== 334.3 {K};
598 Tc :== 536.4 {K};
599 Pc :== 53.7 {bar};
600 Vc :== 238.9 {cm^3/g_mole};
601 Zc :== 0.293;
602 omega :== 0.218;
603 cpvapa :== 24.00 {J/g_mole/K};
604 cpvapb :== 1.893e-1 {J/g_mole/K^2};
605 cpvapc :== -1.841e-4 {J/g_mole/K^3};
606 cpvapd :== 6.657e-8 {J/g_mole/K^4};
607 Hf :== -1.013e+5 {J/g_mole};
608 Gf :== -6.858e+4 {J/g_mole};
609 vpa :== -6.95546;
610 vpb :== 1.16625;
611 vpc :== -2.13970;
612 vpd :== -3.44421;
613 vp_correlation :== 1;
614 Hv :== 7100 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
615 Tliq :== 293.15 {K};
616 lden :== 1.489 {g/cm^3};
617
618 nu['CHCl3'] :== 1;
619 lambda['(CH3)2CO'] :== 1.49288;
620 lambda['C6H6'] :== 1.92309;
621 lambda['CHCl3'] :== 1.0;
622 del_ip['(CH3)2CO'] :== -1359.32 {J/g_mole};
623 del_ip['C6H6'] :== -1638.28 {J/g_mole};
624 del_ip['CHCl3'] :== 0.0 {J/g_mole};
625
626 (* No. 116 *)
627 CASE 'methane':
628 rpp_index :== 116;
629
630 formula :== 'CH4';
631 subgroups :== ['CH3'];
632 wilson_set :== [];
633
634 mw :== 16.043 {g/g_mole};
635 Tb :== 111.6 {K};
636 Tc :== 190.4 {K};
637 Pc :== 46.0 {bar};
638 Vc :== 99.0 {cm^3/g_mole};
639 Zc :== 0.288;
640 omega :== 0.011;
641 cpvapa :== 19.25 {J/g_mole/K};
642 cpvapb :== 5.213e-2 {J/g_mole/K^2};
643 cpvapc :== 1.197e-5 {J/g_mole/K^3};
644 cpvapd :== -1.132e-8 {J/g_mole/K^4};
645 Hf :== -7.490e+4 {J/g_mole};
646 Gf :== -5.087e+4 {J/g_mole};
647 vpa :== -6.00435;
648 vpb :== 1.18850;
649 vpc :== -0.83408;
650 vpd :== -1.22833;
651 vp_correlation :== 1;
652 Hv :== 1955 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
653 Tliq :== 111.7 {K};
654 lden :== 0.425 {g/cm^3};
655
656 nu['CH3'] :== 1;
657
658 (* No. 117 *)
659 CASE 'methanol':
660 rpp_index :== 117;
661
662 formula :== 'CH3OH';
663 subgroups :== ['CH3', 'OH'];
664 wilson_set :== ['H2O','(CH3)2CO','CH3OH'];
665
666 mw :== 32.042 {g/g_mole};
667 Tb :== 337.7 {K};
668 Tc :== 512.6 {K};
669 Pc :== 80.9 {bar};
670 Vc :== 118.0 {cm^3/g_mole};
671 Zc :== 0.224;
672 omega :== 0.556;
673 cpvapa :== 21.15 {J/g_mole/K};
674 cpvapb :== 7.092e-2 {J/g_mole/K^2};
675 cpvapc :== 2.587e-5 {J/g_mole/K^3};
676 cpvapd :== -2.852e-8 {J/g_mole/K^4};
677 Hf :== -2.0133e+5 {J/g_mole};
678 Gf :== -1.626e+5 {J/g_mole};
679 vpa :== -8.54796;
680 vpb :== 0.76982;
681 vpc :== -3.10850;
682 vpd :== 1.54481;
683 vp_correlation :== 1;
684 Hv :== 8426 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
685 Tliq :== 293 {K};
686 lden :== 0.791 {g/cm^3};
687
688 nu['CH3'] :== 1;
689 nu['OH'] :== 1;
690 lambda['H2O'] :== 0.43045;
691 lambda['(CH3)2CO'] :== 0.77204;
692 lambda['CH3OH'] :== 1.0;
693 del_ip['(CH3)2CO'] :== 2.6493E+002 {J/g_mole};
694 del_ip['H2O'] :== 1.1944E+002 {J/g_mole};
695 del_ip['CH3OH'] :== 0.0 {J/g_mole};
696
697
698 (* No. 155 *)
699 CASE 'ethylene':
700
701 rpp_index :== 155;
702 formula :== 'C2H4';
703 subgroups :== ['CH2=CH'];
704 wilson_set :== [];
705 mw :== 28.054 {g/g_mole};
706 Tb :== 169.3 {K};
707 Tc :== 282.4 {K};
708 Pc :== 50.4 {bar};
709 Vc :== 130.4 {cm^3/g_mole};
710 Zc :== 0.280;
711 omega :== 0.089;
712 cpvapa :== 3.806 {J/g_mole/K};
713 cpvapb :== 1.566e-1 {J/g_mole/K^2};
714 cpvapc :== -8.348e-5 {J/g_mole/K^3};
715 cpvapd :== 1.755e-8 {J/g_mole/K^4};
716 Hf :== 5.234e+4 {J/g_mole};
717 Gf :== 6.816e+4 {J/g_mole};
718 vpa :== -6.32055;
719 vpb :== 1.16819;
720 vpc :== -1.55935;
721 vpd :== -1.83552;
722 vp_correlation :== 1;
723 Hv :== 3237 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
724 Tliq :== 163{K};
725 lden :== 0.577 {g/cm^3};
726 nu['CH2=CH'] :== 1;
727
728
729 (* No. 168 *)
730 CASE 'ethane':
731
732 rpp_index :== 168;
733 formula :== 'C2H6';
734 subgroups :== ['CH3'];
735 wilson_set :== [];
736 mw :== 30.070 {g/g_mole};
737 Tb :== 184.6 {K};
738 Tc :== 305.4 {K};
739 Pc :== 48.8 {bar};
740 Vc :== 148.3 {cm^3/g_mole};
741 Zc :== 0.285;
742 omega :== 0.099;
743 cpvapa :== 5.409 {J/g_mole/K};
744 cpvapb :== 1.781e-1 {J/g_mole/K^2};
745 cpvapc :== -6.938e-5 {J/g_mole/K^3};
746 cpvapd :== 8.713e-9 {J/g_mole/K^4};
747 Hf :== -8.474e+4 {J/g_mole};
748 Gf :== -3.295e+4 {J/g_mole};
749 vpa :== -6.34307;
750 vpb :== 1.01630;
751 vpc :== -1.19116;
752 vpd :== -2.03539;
753 vp_correlation :== 1;
754 Hv :== 3515 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
755 Tliq :== 183.0 {K};
756 lden :== 0.548 {g/cm^3};
757
758 nu['CH3'] :== 2;
759
760
761 (* No. 170 *)
762 CASE 'ethanol':
763
764 rpp_index :== 170;
765 formula :== 'C2H5OH';
766 subgroups :== ['CH3', 'CH2', 'OH'];
767 wilson_set :== [];
768
769 mw :== 46.069 {g/g_mole};
770 Tb :== 351.4 {K};
771 Tc :== 513.9 {K};
772 Pc :== 61.4 {bar};
773 Vc :== 167.1 {cm^3/g_mole};
774 Zc :== 0.240;
775 omega :== 0.644;
776 cpvapa :== 9.014 {J/g_mole/K};
777 cpvapb :== 2.141e-1 {J/g_mole/K^2};
778 cpvapc :== -8.390e-5 {J/g_mole/K^3};
779 cpvapd :== 1.373e-9 {J/g_mole/K^4};
780 Hf :== -2.350e+5 {J/g_mole};
781 Gf :== -1.684e+5 {J/g_mole};
782 vpa :== -8.51838;
783 vpb :== 0.34163;
784 vpc :== -5.73683;
785 vpd :== 8.32581;
786 vp_correlation :== 1;
787 Hv :== 9260 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
788 Tliq :== 293.15 {K};
789 lden :== 0.789 {g/cm^3};
790
791 nu['CH3'] :== 1;
792 nu['CH2'] :== 1;
793 nu['OH'] :== 1;
794
795 (* No. 194 *)
796 CASE 'propylene':
797
798 rpp_index :== 194;
799 formula :== 'C3H6';
800 subgroups :== ['CH3', 'CH2', 'CH'];
801 wilson_set :== ['C3H4','C3H8','C3H6'];
802
803 mw :== 42.081 {g/g_mole};
804 Tb :== 225.5 {K};
805 Tc :== 364.9 {K};
806 Pc :== 46.0 {bar};
807 Vc :== 181.0 {cm^3/g_mole};
808 Zc :== 0.274;
809 omega :== 0.144;
810 cpvapa :== 3.710 {J/g_mole/K};
811 cpvapb :== 2.345e-1 {J/g_mole/K^2};
812 cpvapc :== -1.160e-4 {J/g_mole/K^3};
813 cpvapd :== 2.205e-8 {J/g_mole/K^4};
814 Hf :== 2.043e+4 {J/g_mole};
815 Gf :== 6.276e+4 {J/g_mole};
816 vpa :== -6.64231;
817 vpb :== 1.21857;
818 vpc :== -1.81005;
819 vpd :== -2.48212;
820 vp_correlation :== 1;
821 Hv :== 4400 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
822 Tliq :== 223.0 {K};
823 lden :== 0.612 {g/cm^3};
824
825 nu['CH3'] :== 1;
826 nu['CH2'] :== 1;
827 nu['CH'] :== 1;
828
829 lambda['C3H4'] :== 1.150;
830 lambda['C3H8'] :== 1.057;
831 lambda['C3H6'] :== 1.0;
832
833 del_ip[wilson_set] :== MAX_REAL * 1e-12{J/g_mole};
834
835 (* No. 196 *)
836 CASE 'acetone':
837
838 rpp_index :== 196;
839 formula :== '(CH3)2CO';
840 subgroups :== ['CH3', 'CH3CO'];
841 wilson_set :== ['H2O','CH3OH','CHCl3','C6H6','(CH3)2CO'];
842
843 mw :== 58.080 {g/g_mole};
844 Tb :== 329.2 {K};
845 Tc :== 508.1 {K};
846 Pc :== 47.0 {bar};
847 Vc :== 209.0 {cm^3/g_mole};
848 Zc :== 0.232;
849 omega :== 0.304;
850 cpvapa :== 6.301 {J/g_mole/K};
851 cpvapb :== 2.606e-1 {J/g_mole/K^2};
852 cpvapc :== -1.253e-4 {J/g_mole/K^3};
853 cpvapd :== 2.038e-8 {J/g_mole/K^4};
854 Hf :== -2.177e+5 {J/g_mole};
855 Gf :== -1.532e+5 {J/g_mole};
856 vpa :== -7.45514;
857 vpb :== 1.20200;
858 vpc :== -2.43926;
859 vpd :== -3.35590;
860 vp_correlation :== 1;
861 Hv :== 6960 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
862 Tliq :== 293.15{K};
863 lden :== 0.790 {g/cm^3};
864
865 nu['CH3'] :== 1;
866 nu['CH3CO'] :== 1;
867
868 lambda['H2O'] :== 0.16924;
869 lambda['CH3OH'] :== 0.65675;
870 lambda['CHCl3'] :== 1.29452;
871 lambda['C6H6'] :== 0.75632;
872 lambda['(CH3)2CO'] :== 1.0;
873
874 del_ip['CH3OH'] :== 23.2321 {J/g_mole};
875 del_ip['H2O'] :== 1674.817 {J/g_mole};
876 del_ip['C6H6'] :== 1364.63 {J/g_mole};
877 del_ip['CHCl3'] :== -468.831 {J/g_mole};
878 del_ip['(CH3)2CO'] :== 0.0 {J/g_mole};
879
880
881 (* No. 206 *)
882 CASE 'propane':
883
884 rpp_index :== 206;
885 formula :== 'C3H8';
886 subgroups :== ['CH3', 'CH2'];
887 wilson_set :== ['C3H4','C3H8','C3H6'];
888
889 mw :== 44.094 {g/g_mole};
890 Tb :== 231.1 {K};
891 Tc :== 369.8 {K};
892 Pc :== 42.5 {bar};
893 Vc :== 203.0 {cm^3/g_mole};
894 Zc :== 0.281;
895 omega :== 0.153;
896 cpvapa :== -4.224 {J/g_mole/K};
897 cpvapb :== 3.063e-1 {J/g_mole/K^2};
898 cpvapc :== -1.586e-4 {J/g_mole/K^3};
899 cpvapd :== 3.215e-8 {J/g_mole/K^4};
900 Hf :== -1.039e+5 {J/g_mole};
901 Gf :== -2.349e+4 {J/g_mole};
902 vpa :== -6.72219;
903 vpb :== 1.33236;
904 vpc :== -2.13868;
905 vpd :== -1.38551;
906 Hv :== 4487 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
907 Tliq :== 231.0 {K};
908 lden :== 0.582 {g/cm^3};
909 vp_correlation :== 1;
910
911 nu['CH3'] :== 2;
912 nu['CH2'] :== 1;
913
914 lambda['C3H4'] :== 1.439;
915 lambda['C3H8'] :== 1.0;
916 lambda['C3H6'] :== 1.062;
917 (* we don't have this data yet *)
918 FOR w IN wilson_set CREATE
919 del_ip[w] :== MAX_REAL*1e-12{J/g_mole};
920 END FOR;
921
922 (* No. 185 *)
923 CASE 'propadiene':
924
925
926 rpp_index :== 185;
927 formula :== 'C3H4';
928 subgroups :== ['CH2', 'CH2=C'];
929 wilson_set :== ['C3H4','C3H8','C3H6'];
930
931 mw :== 40.065 {g/g_mole};
932 Tb :== 238.7 {K};
933 Tc :== 393.0 {K};
934 Pc :== 54.7 {bar};
935 Vc :== 162.0 {cm^3/g_mole};
936 Zc :== 0.271;
937 omega :== 0.313;
938 cpvapa :== 9.906 {J/g_mole/K};
939 cpvapb :== 1.977e-1 {J/g_mole/K^2};
940 cpvapc :== -1.182e-4 {J/g_mole/K^3};
941 cpvapd :== 2.782e-8 {J/g_mole/K^4};
942 Hf :== 1.923e5 {J/g_mole};
943 Gf :== 2.025e5 {J/g_mole};
944 vpa :== 6.5361;
945 vpb :== 1054.72{K};
946 vpc :== -77.08{K};
947 vpd :== 0;
948 vp_correlation :== 3;
949 Hv :== 4450.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
950 lden :== 0.658 {g/cm^3};
951 Tliq :== 238.0 {K};
952
953 nu['CH2'] :== 2;
954 nu['CH2=C'] :== 2;
955
956 lambda['C3H4'] :== 1.0;
957 lambda['C3H8'] :== 1.353;
958 lambda['C3H6'] :== 1.136;
959
960 FOR w IN wilson_set CREATE
961 (* we don't have this data yet *)
962 del_ip[w] :== MAX_REAL * 1e-12{J/g_mole};
963 END FOR;
964
965 (* No. 207 n_propanol *)
966 CASE 'n_propanol':
967
968 rpp_index :== 207;
969 formula :== 'C3H7OH';
970 subgroups :== ['CH3', 'CH2', 'OH'];
971 wilson_set :== [];
972
973 mw :== 60.096 {g/g_mole};
974 Tb :== 370.4 {K};
975 Tc :== 536.7 {K};
976 Pc :== 51.7 {bar};
977 Vc :== 218.5 {cm^3/g_mole};
978 Zc :== 0.253;
979 omega :== 0.623;
980 cpvapa :== 2.470 {J/g_mole/K};
981 cpvapb :== 3.325e-1 {J/g_mole/K^2};
982 cpvapc :== -1.855e-4 {J/g_mole/K^3};
983 cpvapd :== 4.296e-8 {J/g_mole/K^4};
984 Hf :== -2.566e+5 {J/g_mole};
985 Gf :== -1.619e+5 {J/g_mole};
986 vpa :== -8.05594;
987 vpb :== 0.0425183;
988 vpc :== -7.51296;
989 vpd :== 6.89004;
990 vp_correlation :== 1;
991 Hv :== 9980 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
992 lden :== 0.804 {g/cm^3};
993 Tliq :== 293.0 {K};
994
995 nu['CH3'] :== 1;
996 nu['CH2'] :== 2;
997 nu['OH'] :== 1;
998
999 (* No. 208 isopropyl alcohol *)
1000 CASE 'i_propanol':
1001 rpp_index :== 208;
1002
1003 formula :== '(CH3)2CHOH';
1004 subgroups :== ['CH3', 'CH', 'OH'];
1005 wilson_set :== ['H2O','C2H6O2','(CH3)2CHOH'];
1006 mw :== 60.096 {g/g_mole};
1007 Tb :== 355.4 {K};
1008 Tc :== 508.3 {K};
1009 Pc :== 47.6 {bar};
1010 Vc :== 220.0 {cm^3/g_mole};
1011 Zc :== 0.248;
1012 omega :== 0.665;
1013 cpvapa :== 32.43 {J/g_mole/K};
1014 cpvapb :== 1.885e-1 {J/g_mole/K^2};
1015 cpvapc :== 6.406e-5 {J/g_mole/K^3};
1016 cpvapd :== -9.261e-8 {J/g_mole/K^4};
1017 Hf :== -2.726e+5 {J/g_mole};
1018 Gf :== -1.177e+5 {J/g_mole};
1019 vpa :== -8.16927;
1020 vpb :== -0.0943213;
1021 vpc :== -8.10040;
1022 vpd :== 7.85000;
1023 vp_correlation :== 1;
1024 Hv :== 9520 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1025 lden :== 0.786 {g/cm^3};
1026 Tliq :== 293.0 {K};
1027
1028 nu['CH3'] :== 2;
1029 nu['CH'] :== 1;
1030 nu['OH'] :== 1;
1031 lambda['H2O'] :== 0.03094;
1032 lambda['C2H6O2'] :== 1.80740;
1033 lambda['(CH3)2CHOH'] :== 1.0;
1034 del_ip['H2O'] :== 6255.66 {J/g_mole};
1035 del_ip['C2H6O2'] :== -1319.20 {J/g_mole};
1036 del_ip['(CH3)2CHOH'] :== 0.0 {J/g_mole};
1037
1038 (* No 171 *)
1039 CASE 'ethylene_glycol':
1040
1041 rpp_index :== 171;
1042 formula :== 'C2H6O2';
1043 subgroups :== ['CH2','OH'];
1044 wilson_set :== ['H2O','(CH3)2CHOH','C2H6O2'];
1045
1046 mw :== 62.069 {g/g_mole};
1047 Tb :== 470.5 {K};
1048 Tc :== 645 {K};
1049 Pc :== 77 {bar};
1050 Vc :== 55.71723{cm^3/g_mole};
1051 Zc :== 0.270;
1052 omega :== (0.9145 + 1.20)/2; (*Calculated using Perry's, p. 3-257*)
1053 cpvapa :== 3.570e+1 {J/g_mole/K};
1054 cpvapb :== 2.483e-1 {J/g_mole/K^2};
1055 cpvapc :== -1.497e-4 {J/g_mole/K^3};
1056 cpvapd :== 3.010e-8 {J/g_mole/K^4};
1057 Hf :== -3.896e5 {J/g_mole};
1058 Gf :== -3.047e5 {J/g_mole};
1059 vpa :== 13.6299;
1060 vpb :== 6022.18{K};
1061 vpc :== -28.25{K};
1062 vpd :== 0;
1063 vp_correlation :== 3;
1064 Hv :== 12550.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1065 lden :== 1.114 {g/cm^3};
1066 Tliq :== 293.0 {K};
1067
1068 nu['CH2'] :== 2;
1069 nu['OH'] :== 2;
1070
1071 lambda['H2O'] :== 0.42861;
1072 lambda['(CH3)2CHOH'] :== 0.23018;
1073 lambda['C2H6O2'] :== 1.0;
1074
1075 del_ip['H2O'] :== -2661.746 {J/g_mole};
1076 del_ip['(CH3)2CHOH'] :== 2167.164 {J/g_mole};
1077 del_ip['C2H6O2'] :== 0.0 {J/g_mole};
1078
1079
1080 (* No. 258 *)
1081 CASE 'n_butane':
1082
1083 rpp_index :== 258;
1084 formula :== 'C4H10';
1085 subgroups :== ['CH3', 'CH2'];
1086 wilson_set :== [];
1087
1088 mw :== 58.124 {g/g_mole};
1089 Tb :== 272.7 {K};
1090 Tc :== 425.2 {K};
1091 Pc :== 38.0 {bar};
1092 Vc :== 255 {cm^3/g_mole};
1093 Zc :== 0.274;
1094 omega :== 0.199;
1095 cpvapa :== 9.487 {J/g_mole/K};
1096 cpvapb :== 3.313e-1 {J/g_mole/K^2};
1097 cpvapc :== -1.108e-4 {J/g_mole/K^3};
1098 cpvapd :== -2.822e-9 {J/g_mole/K^4};
1099 Hf :== -1.262e+5 {J/g_mole};
1100 Gf :== -1.610e+4 {J/g_mole};
1101 vpa :== -6.88709;
1102 vpb :== 1.15157;
1103 vpc :== -1.99873;
1104 vpd :== -3.13003;
1105 vp_correlation :== 1;
1106 Hv :== 5352 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1107 lden :== 0.579 {g/cm^3};
1108 Tliq :== 293.0 {K};
1109
1110 nu['CH3'] :== 2;
1111 nu['CH2'] :== 2;
1112
1113 (* No. 259 isobutane*)
1114 CASE 'i_butane':
1115
1116 rpp_index :== 259;
1117 formula :== '(CH3)3CH';
1118 subgroups :== ['CH3', 'CH'];
1119 wilson_set :== [];
1120
1121 mw :== 58.124 {g/g_mole};
1122 Tb :== 261.4 {K};
1123 Tc :== 408.2 {K};
1124 Pc :== 36.5 {bar};
1125 Vc :== 263 {cm^3/g_mole};
1126 Zc :== 0.283;
1127 omega :== 0.183;
1128 cpvapa :== -1.390 {J/g_mole/K};
1129 cpvapb :== 3.847e-1 {J/g_mole/K^2};
1130 cpvapc :== -1.846e-4 {J/g_mole/K^3};
1131 cpvapd :== 2.895e-8 {J/g_mole/K^4};
1132 Hf :== -1.346e+5 {J/g_mole};
1133 Gf :== -2.090e+4 {J/g_mole};
1134 vpa :== -6.95579;
1135 vpb :== 1.50090;
1136 vpc :== -2.52717;
1137 vpd :== -1.49776;
1138 vp_correlation :== 1;
1139 Hv :== 5090 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1140 lden :== 0.557 {g/cm^3};
1141 Tliq :== 293.0 {K};
1142
1143 nu['CH3'] :== 3;
1144 nu['CH'] :== 1;
1145
1146
1147 (* No. 260*)
1148 CASE 'n_butanol':
1149
1150 rpp_index :== 260;
1151 formula :== 'C4H9OH';
1152 subgroups :== ['CH3', 'CH2', 'OH'];
1153 wilson_set :== [];
1154
1155 mw :== 74.123 {g/g_mole};
1156 Tb :== 390.9 {K};
1157 Tc :== 563.1 {K};
1158 Pc :== 44.2 {bar};
1159 Vc :== 274.0 {cm^3/g_mole};
1160 Zc :== 0.259;
1161 omega :== 0.593;
1162 cpvapa :== 3.266 {J/g_mole/K};
1163 cpvapb :== 4.180e-1 {J/g_mole/K^2};
1164 cpvapc :== -2.242e-4 {J/g_mole/K^3};
1165 cpvapd :== 4.685e-8 {J/g_mole/K^4};
1166 Hf :== -2.749e+5 {J/g_mole};
1167 Gf :== -1.509e+5 {J/g_mole};
1168 vpa :== -8.00756;
1169 vpb :== 0.53783;
1170 vpc :== -9.34240;
1171 vpd :== 6.68692;
1172 vp_correlation :== 1;
1173 Hv :== 10300 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1174 lden :== 0.810 {g/cm^3};
1175 Tliq :== 293 {K};
1176
1177 nu['CH3'] :== 1;
1178 nu['CH2'] :== 3;
1179 nu['OH'] :== 1;
1180
1181
1182 (* No. 262 isobutanol*)
1183 CASE 'i_butanol':
1184
1185 rpp_index :== 262;
1186 formula :== '(CH3)2CHCH2OH';
1187 subgroups :== ['CH3','CH2','CH','OH'];
1188 wilson_set :== [];
1189
1190
1191 mw :== 74.123 {g/g_mole};
1192 Tb :== 381.0 {K};
1193 Tc :== 547.8 {K};
1194 Pc :== 43.0 {bar};
1195 Vc :== 273 {cm^3/g_mole};
1196 Zc :== 0.257;
1197 omega :== 0.592;
1198 cpvapa :== -7.708 {J/g_mole/K};
1199 cpvapb :== 4.689e-1 {J/g_mole/K^2};
1200 cpvapc :== -2.884e-4 {J/g_mole/K^3};
1201 cpvapd :== 7.231e-8 {J/g_mole/K^4};
1202 Hf :== -2.834e+5 {J/g_mole};
1203 Gf :== -1.674e+5 {J/g_mole};
1204 vpa :== 10.2510;
1205 vpb :== 2874.73{K};
1206 vpc :== -100.3{K};
1207 vpd :== 0;
1208 vp_correlation :== 3;
1209 Hv :== 10050 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1210 lden :== 0.802 {g/cm^3};
1211 Tliq :== 293.0 {K};
1212
1213 nu['CH3'] :== 2;
1214 nu['CH2'] :== 1;
1215 nu['CH'] :== 1;
1216 nu['OH'] :== 1;
1217
1218
1219 (* No. 311 *)
1220 CASE 'n_pentane':
1221
1222
1223 rpp_index :== 311;
1224 formula :== 'C5H12';
1225 subgroups :== ['CH3', 'CH2'];
1226 wilson_set :== [];
1227
1228 mw :== 72.151 {g/g_mole};
1229 Tb :== 309.2 {K};
1230 Tc :== 469.7 {K};
1231 Pc :== 33.7 {bar};
1232 Vc :== 304 {cm^3/g_mole};
1233 Zc :== 0.263;
1234 omega :== 0.251;
1235 cpvapa :== -3.626 {J/g_mole/K};
1236 cpvapb :== 4.873e-1 {J/g_mole/K^2};
1237 cpvapc :== -2.580e-4 {J/g_mole/K^3};
1238 cpvapd :== 5.305e-8 {J/g_mole/K^4};
1239 Hf :== -1.465e+5 {J/g_mole};
1240 Gf :== -8.370e+3 {J/g_mole};
1241 vpa :== -7.28936;
1242 vpb :== 1.53679;
1243 vpc :== -3.08367;
1244 vpd :== -1.02456;
1245 vp_correlation :== 1;
1246 Hv :== 6160 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1247 lden :== 0.626 {g/cm^3};
1248 Tliq :== 293.0 {K};
1249
1250 nu['CH3'] :== 2;
1251 nu['CH2'] :== 3;
1252
1253
1254 (* No. 312 2-methyl butane*)
1255 CASE 'i_pentane':
1256
1257 rpp_index :== 312;
1258 formula :== 'C2H5CH(CH3)2';
1259 subgroups :== ['CH3', 'CH2', 'CH'];
1260 wilson_set :== [];
1261
1262 mw :== 72.151 {g/g_mole};
1263 Tb :== 301.0 {K};
1264 Tc :== 460.4 {K};
1265 Pc :== 33.9 {bar};
1266 Vc :== 306 {cm^3/g_mole};
1267 Zc :== 0.271;
1268 omega :== 0.227;
1269 cpvapa :== -9.525 {J/g_mole/K};
1270 cpvapb :== 5.066e-1 {J/g_mole/K^2};
1271 cpvapc :== -2.729e-4 {J/g_mole/K^3};
1272 cpvapd :== 5.723e-8 {J/g_mole/K^4};
1273 Hf :== -1.546e+5 {J/g_mole};
1274 Gf :== -1.482e+4 {J/g_mole};
1275 vpa :== -7.12727;
1276 vpb :== 1.38996;
1277 vpc :== -2.54302;
1278 vpd :== -2.45657;
1279 vp_correlation :== 1;
1280 Hv :== 5900 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1281 lden :== 0.620 {g/cm^3};
1282 Tliq :== 293.0{K};
1283
1284 nu['CH3'] :== 3;
1285 nu['CH2'] :== 1;
1286 nu['CH'] :== 1;
1287
1288
1289 (* No. 343 *)
1290 CASE 'benzene':
1291
1292 rpp_index :== 343;
1293 formula :== 'C6H6';
1294 subgroups :== ['ACH'];
1295 wilson_set :== ['CHCl3','C6H6','(CH3)2CO'];
1296
1297 mw :== 78.114 {g/g_mole};
1298 Tb :== 353.2 {K};
1299 Tc :== 562.2 {K};
1300 Pc :== 48.9 {bar};
1301 Vc :== 259 {cm^3/g_mole};
1302 Zc :== 0.271;
1303 omega :== 0.212;
1304 cpvapa :== -3.392e+1 {J/g_mole/K};
1305 cpvapb :== 4.739e-1 {J/g_mole/K^2};
1306 cpvapc :== -3.017e-4 {J/g_mole/K^3};
1307 cpvapd :== 7.130e-8 {J/g_mole/K^4};
1308 Hf :== 8.298e+4 {J/g_mole};
1309 Gf :== 1.297e+5 {J/g_mole};
1310 vpa :== -6.98273;
1311 vpb :== 1.33213;
1312 vpc :== -2.62863;
1313 vpd :== -3.33399;
1314 vp_correlation :== 1;
1315 Hv :== 7352 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1316 lden :== 0.885 {g/cm^3};
1317 Tliq :== 289.0{K};
1318
1319 nu['ACH'] :== 6;
1320 lambda['CHCl3'] :== 0.52431;
1321 lambda['(CH3)2CO'] :== 0.87629;
1322 lambda['C6H6'] :== 1.0;
1323 del_ip['CHCl3'] :== 1614.0 {J/g_mole};
1324 del_ip['(CH3)2CO'] :== -156.458 {J/g_mole};
1325 del_ip['C6H6'] :== 0.0 {J/g_mole};
1326
1327
1328 (* No. 379 *)
1329 CASE 'n_hexane':
1330
1331 rpp_index :== 379;
1332 formula :== 'C6H14';
1333 subgroups :== ['CH3', 'CH2'];
1334 wilson_set :== [];
1335
1336
1337 mw :== 86.178 {g/g_mole};
1338 Tb :== 341.9 {K};
1339 Tc :== 507.5 {K};
1340 Pc :== 30.1 {bar};
1341 Vc :== 370 {cm^3/g_mole};
1342 Zc :== 0.264;
1343 omega :== 0.299;
1344 cpvapa :== -4.413 {J/g_mole/K};
1345 cpvapb :== 5.820e-1 {J/g_mole/K^2};
1346 cpvapc :== -3.119e-4 {J/g_mole/K^3};
1347 cpvapd :== 6.494e-8 {J/g_mole/K^4};
1348 Hf :== -1.673e+5 {J/g_mole};
1349 Gf :== -1.670e+2 {J/g_mole};
1350 vpa :== -7.46765;
1351 vpb :== 1.44211;
1352 vpc :== -3.28222;
1353 vpd :== -2.50941;
1354 vp_correlation :== 1;
1355 Hv :== 6896 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1356 lden :== 0.659 {g/cm^3};
1357 Tliq :== 293.0{K};
1358
1359 nu['CH3'] :== 2;
1360 nu['CH2'] :== 4;
1361
1362
1363 (* No. 400*)
1364 CASE 'toluene':
1365
1366 rpp_index :== 400;
1367 formula :== 'C6H5CH3';
1368 subgroups :== ['ACH', 'ACCH3'];
1369 wilson_set :== [];
1370
1371 mw :== 92.141 {g/g_mole};
1372 Tb :== 383.8 {K};
1373 Tc :== 591.8 {K};
1374 Pc :== 41.0 {bar};
1375 Vc :== 316 {cm^3/g_mole};
1376 Zc :== 0.263;
1377 omega :== 0.263;
1378 cpvapa :== -2.435e+1 {J/g_mole/K};
1379 cpvapb :== 5.125e-1 {J/g_mole/K^2};
1380 cpvapc :== -2.765e-4 {J/g_mole/K^3};
1381 cpvapd :== 4.911e-8 {J/g_mole/K^4};
1382 Hf :== 5.003e+4 {J/g_mole};
1383 Gf :== 1.221e+5 {J/g_mole};
1384 vpa :== -7.28607;
1385 vpb :== 1.38091;
1386 vpc :== -2.83433;
1387 vpd :== -2.79168;
1388 vp_correlation :== 1;
1389 Hv :== 7930 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1390 Tliq :== 293.0{K};
1391 lden :== 0.867 {g/cm^3};
1392
1393 nu['ACH'] :== 5;
1394 nu['ACCH3'] :== 1;
1395
1396
1397 (* No. 429 *)
1398 CASE 'n_heptane':
1399
1400 rpp_index :== 429;
1401 formula :== 'C7H16';
1402 subgroups :== ['CH3', 'CH2'];
1403 wilson_set :== [];
1404
1405 mw :== 100.205 {g/g_mole};
1406 Tb :== 371.6 {K};
1407 Tc :== 540.3 {K};
1408 Pc :== 27.4 {bar};
1409 Vc :== 432 {cm^3/g_mole};
1410 Zc :== 0.263;
1411 omega :== 0.349;
1412 cpvapa :== -5.146 {J/g_mole/K};
1413 cpvapb :== 6.762e-1 {J/g_mole/K^2};
1414 cpvapc :== -3.651e-4 {J/g_mole/K^3};
1415 cpvapd :== 7.658e-8 {J/g_mole/K^4};
1416 Hf :== -1.879e+5 {J/g_mole};
1417 Gf :== 8.000e+3 {J/g_mole};
1418 vpa :== -7.67468;
1419 vpb :== 1.37068;
1420 vpc :== -3.53620;
1421 vpd :== -3.20243;
1422 vp_correlation :== 1;
1423 Hv :== 7576 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1424 lden :== 0.684 {g/cm^3};
1425 Tliq :== 293.0{K};
1426
1427 nu['CH3'] :== 2;
1428 nu['CH2'] :== 5;
1429
1430
1431 (* No. 440 *)
1432 CASE 'styrene':
1433
1434 rpp_index :== 440;
1435 formula :== 'C6H5C2H3';
1436 subgroups :== ['ACH', 'AC', 'CH2=CH'];
1437 wilson_set :== [];
1438
1439 mw :== 104.152 {g/g_mole};
1440 Tb :== 418.3 {K};
1441 Tc :== 647 {K};
1442 Pc :== 39.9 {bar};
1443 Vc :== 350.55 {cm^3/g_mole};(*Not sure about Vc Zc*)
1444 Zc :== 0.260;
1445 omega :== 0.257;
1446 cpvapa :== -2.825e+1 {J/g_mole/K};
1447 cpvapb :== 6.159e-1 {J/g_mole/K^2};
1448 cpvapc :== -4.023e-4 {J/g_mole/K^3};
1449 cpvapd :== 9.935e-8 {J/g_mole/K^4};
1450 Hf :== 1.475e+5 {J/g_mole};
1451 Gf :== 2.139e+5 {J/g_mole};
1452 vpa :== -7.15981;
1453 vpb :== 1.78861;
1454 vpc :== -5.10359;
1455 vpd :== 1.63749;
1456 vp_correlation :== 1;
1457 Hv :== 8800 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1458 lden :== 0.906 {g/cm^3};
1459 Tliq :== 293.15{K};
1460
1461 nu['ACH'] :== 5;
1462 nu['AC'] :== 1;
1463 nu['CH2=CH'] :== 1;
1464
1465
1466 (* No. 447 *)
1467 CASE 'ethylbenzene':
1468
1469 rpp_index :== 447;
1470 formula :== 'C6H5C2H5';
1471 subgroups :== ['ACH', 'ACCH2', 'CH3'];
1472 wilson_set :== [];
1473
1474 mw :== 106.168 {g/g_mole};
1475 Tb :== 409.3 {K};
1476 Tc :== 617.2 {K};
1477 Pc :== 36.0 {bar};
1478 Vc :== 374 {cm^3/g_mole};
1479 Zc :== 0.262;
1480 omega :== 0.302;
1481 cpvapa :== -4.310e1 {J/g_mole/K};
1482 cpvapb :== 7.072e-1 {J/g_mole/K^2};
1483 cpvapc :== -4.811e-4 {J/g_mole/K^3};
1484 cpvapd :== 1.301e-7 {J/g_mole/K^4};
1485 Hf :== 2.981e4 {J/g_mole};
1486 Gf :== 1.307e5 {J/g_mole};
1487 vpa :== -7.48645;
1488 vpb :== 1.45488;
1489 vpc :== -3.37538;
1490 vpd :== -2.23048;
1491 vp_correlation :== 1;
1492 Hv :== 8500 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1493 lden :== 0.867 {g/cm^3};
1494 Tliq :== 293{K};
1495
1496 nu['ACH'] :== 5;
1497 nu['ACCH2'] :== 1;
1498 nu['CH3'] :== 1;
1499
1500
1501 (* No. 483 *)
1502 CASE 'n_octane':
1503
1504 rpp_index :== 483;
1505 formula :== 'C8H18';
1506 subgroups :== ['CH3', 'CH2'];
1507 wilson_set :== [];
1508
1509 mw :== 114.232 {g/g_mole};
1510 Tb :== 398.8 {K};
1511 Tc :== 568.8 {K};
1512 Pc :== 24.9 {bar};
1513 Vc :== 492.0 {cm^3/g_mole};
1514 Zc :== 0.259;
1515 omega :== 0.398;
1516 cpvapa :== -6.096 {J/g_mole/K};
1517 cpvapb :== 7.712e-1 {J/g_mole/K^2};
1518 cpvapc :== -4.195e-4 {J/g_mole/K^3};
1519 cpvapd :== 8.855e-8 {J/g_mole/K^4};
1520 Hf :== -2.086e5 {J/g_mole};
1521 Gf :== 1.640e4 {J/g_mole};
1522 vpa :== -7.91211;
1523 vpb :== 1.38007;
1524 vpc :== -3.80435;
1525 vpd :== -4.50132;
1526 vp_correlation :== 1;
1527 Hv :== 8225 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1528 lden :== 0.703 {g/cm^3};
1529 Tliq :== 293.0{K};
1530
1531 nu['CH3'] :== 2;
1532 nu['CH2'] :== 6;
1533
1534
1535 (* No. 552 *)
1536 CASE 'diethylbenzene':
1537
1538 rpp_index :== 552;
1539 formula :== 'C6H4(C2H5)2';
1540 subgroups :== ['ACH', 'ACCH2', 'CH3'];
1541 wilson_set :== [];
1542
1543 mw :== 134.222 {g/g_mole};
1544 Tb :== 456.9 {K};
1545 Tc :== 657.9 {K};
1546 Pc :== 28.0 {bar};
1547 Vc :== 480.0 {cm^3/g_mole};(*Not sure about Vc Zc*)
1548 Zc :== 0.25;
1549 omega :== 0.404;
1550 cpvapa :== -3.742e+1 {J/g_mole/K};
1551 cpvapb :== 8.671e-1 {J/g_mole/K^2};
1552 cpvapc :== -5.560e-4 {J/g_mole/K^3};
1553 cpvapd :== 1.411e-7 {J/g_mole/K^4};
1554 Hf :== -2.227e+4 {J/g_mole};
1555 Gf :== 1.380e+5 {J/g_mole};
1556 vpa :== -8.11413;
1557 vpb :== 1.77697;
1558 vpc :== -4.43960;
1559 vpd :== -1.47477;
1560 vp_correlation :== 1;
1561 Hv :== 9410 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1562 lden :== 0.862 {g/cm^3};
1563 Tliq :== 293 {K};
1564
1565 nu['ACH'] :== 4;
1566 nu['ACCH2'] :== 2;
1567 nu['CH3'] :== 2;
1568
1569
1570 (* No. 567 *)
1571 CASE 'n_decane':
1572
1573 rpp_index :== 567;
1574 formula :== 'C10H22';
1575 subgroups :== ['CH3', 'CH2'];
1576 wilson_set :== [];
1577
1578 mw :== 142.286 {g/g_mole};
1579 Tb :== 447.3 {K};
1580 Tc :== 617.7 {K};
1581 Pc :== 21.2 {bar};
1582 Vc :== 603.0 {cm^3/g_mole};
1583 Zc :== 0.249;
1584 omega :== 0.489;
1585 cpvapa :== -7.913 {J/g_mole/K};
1586 cpvapb :== 9.609e-1 {J/g_mole/K^2};
1587 cpvapc :== -5.288e-4 {J/g_mole/K^3};
1588 cpvapd :== 1.131e-7 {J/g_mole/K^4};
1589 Hf :== -2.498e5 {J/g_mole};
1590 Gf :== 3.324e4 {J/g_mole};
1591 vpa :== -8.56523;
1592 vpb :== 1.97756;
1593 vpc :== -5.81971;
1594 vpd :== -0.29982;
1595 vp_correlation :== 1;
1596 Hv :== 9388 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1597 lden :== 0.730 {g/cm^3};
1598 Tliq :== 293.0 {K};
1599
1600 nu['CH3'] :== 2;
1601 nu['CH2'] :== 8;
1602
1603
1604 (* No. 579 *)
1605 CASE 'diphenyl':
1606
1607 rpp_index :== 579;
1608 formula :== '(C6H5)2';
1609 subgroups :== ['ACH', 'AC'];
1610 wilson_set :== [];
1611
1612 mw :== 154.212 {g/g_mole};
1613 Tb :== 529.3 {K};
1614 Tc :== 789.0 {K};
1615 Pc :== 38.5 {bar};
1616 Vc :== 502.0 {cm^3/g_mole};
1617 Zc :== 0.295;
1618 omega :== 0.372;
1619 cpvapa :== -9.707e+1 {J/g_mole/K};
1620 cpvapb :== 1.106 {J/g_mole/K^2};
1621 cpvapc :== -8.855e-4 {J/g_mole/K^3};
1622 cpvapd :== 2.790e-7 {J/g_mole/K^4};
1623 Hf :== 1.822e+5 {J/g_mole};
1624 Gf :== 2.803e+5 {J/g_mole};
1625 vpa :== -7.6740;
1626 vpb :== 1.23008;
1627 vpc :== -3.67908;
1628 vpd :== -2.29172;
1629 vp_correlation :== 1;
1630 Hv :== 10900 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1631 lden :== 0.990 {g/cm^3};
1632 Tliq :== 347 {K};
1633 nu['ACH'] :== 10;
1634 nu['AC'] :== 2;
1635
1636
1637 (* No. 314 1_pentanol*)
1638 CASE 'pentanol_1':
1639
1640 rpp_index :== 314;
1641 formula :== 'C5H12O';
1642 subgroups :== ['CH3', 'CH2', 'OH'];
1643 wilson_set :== [];
1644
1645 mw :== 88.150 {g/g_mole};
1646 Tb :== 411.1 {K};
1647 Tc :== 588.2 {K};
1648 Pc :== 39.1 {bar};
1649 Vc :== 326.0 {cm^3/g_mole};
1650 Zc :== 0.260;
1651 omega :== 0.579;
1652 cpvapa :== 3.869 {J/g_mole/K};
1653 cpvapb :== 0.5045 {J/g_mole/K^2};
1654 cpvapc :== -2.639e-04 {J/g_mole/K^3};
1655 cpvapd :== 5.120e-08 {J/g_mole/K^4};
1656 Hf :== -2.989e05 {J/g_mole};
1657 Gf :== -1.461e05 {J/g_mole};
1658 vpa :== -8.97725;
1659 vpb :== 2.99791;
1660 vpc :== -12.9596;
1661 vpd :== 8.84205;
1662 vp_correlation :== 1;
1663 Hv :== 10600.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1664 lden :== 0.815 {g/cm^3};
1665 Tliq :== 293.0 {K};
1666
1667 nu['CH2'] :== 4;
1668 nu['CH3'] :== 1;
1669 nu['OH'] :== 1;
1670
1671
1672 (* No. 340*)
1673 CASE 'chloro_benzene':
1674
1675 rpp_index :== 340;
1676 formula :== 'C6H5Cl';
1677 subgroups :== ['ACH', 'AC'];
1678 wilson_set :== [];
1679
1680 mw :== 112.559 {g/g_mole};
1681 Tb :== 404.9 {K};
1682 Tc :== 632.4 {K};
1683 Pc :== 45.2 {bar};
1684 Vc :== 308.0 {cm^3/g_mole};
1685 Zc :== 0.265;
1686 omega :== 0.249;
1687 cpvapa :== -33.89 {J/g_mole/K};
1688 cpvapb :== 0.5631 {J/g_mole/K^2};
1689 cpvapc :== -4.522e-04 {J/g_mole/K^3};
1690 cpvapd :== 1.426e-07 {J/g_mole/K^4};
1691 Hf :== 5.187e04 {J/g_mole};
1692 Gf :== 9.923e04 {J/g_mole};
1693 vp_correlation :== 1;
1694 vpa :== -7.5870;
1695 vpb :== 2.26551;
1696 vpc :== -4.09418;
1697 vpd :== 0.17038;
1698 Hv :== 8735.0 {cal/g_mole}; (*Reid, et.al 2nd ed.*)
1699 lden :== 1.106 {g/cm^3};
1700 Tliq :== 293.0 {K};
1701
1702 nu['ACH'] :== 5;
1703 nu['AC'] :== 1;
1704
1705
1706 (* added from art *)
1707 CASE 'oxygen':
1708
1709 rpp_index :== 59;
1710 formula :== 'O2';
1711 subgroups :== [];
1712 wilson_set :== [];
1713
1714 mw :== 31.999 {g/g_mole};
1715 Tb :== 90.2 {K};
1716 Tc :== 154.6 {K};
1717 Pc :== 50.4 {bar};
1718 Vc :== 73.4 {cm^3/g_mole};
1719 Zc :== 0.288;
1720 omega :== 0.025;
1721 cpvapa :== 2.811e1 {cal/g_mole/K};
1722 cpvapb :== -3.680e-6 {cal/g_mole/K^2};
1723 cpvapc :== 1.746e-5 {cal/g_mole/K^3};
1724 cpvapd :== -1.065e-8 {cal/g_mole/K^4};
1725 Hf :== 0.00 {J/g_mole};
1726 Gf :== 0.00 {J/g_mole};
1727 vpa :== -6.28275;
1728 vpb :== 1.73619;
1729 vpc :== -1.81349;
1730 vpd :== -2.53645e-2;
1731 vp_correlation :== 1;
1732 Hv :== 1630 {cal/g_mole};
1733 Tliq :== 90 {K};
1734 lden:== 1.149 {g/cm^3};
1735
1736
1737 CASE 'nitrogen':
1738
1739 rpp_index :== 56;
1740 formula :== 'N2';
1741 subgroups :== [];
1742 wilson_set :== [];
1743
1744 mw :== 28.013 {g/g_mole};
1745 Tb :== 77.4 {K};
1746 Tc :== 126.2 {K};
1747 Pc :== 33.9 {bar};
1748 Vc :== 89.8 {cm^3/g_mole};
1749 Zc :== 0.290;
1750 omega :== 0.039;
1751 cpvapa :== 3.115e1 {cal/g_mole/K};
1752 cpvapb :== -1.357e-2 {cal/g_mole/K^2};
1753 cpvapc :== 2.680e-5 {cal/g_mole/K^3};
1754 cpvapd :== -1.168e-8 {cal/g_mole/K^4};
1755 Hf :== 0.00 {J/g_mole};
1756 Gf :== 0.00 {J/g_mole};
1757 vp_correlation :== 1;
1758 vpa :== -6.09676;
1759 vpb :== 1.13670;
1760 vpc :== -1.04072;
1761 vpd :== -1.93306;
1762 Hv :== 1333 {cal/g_mole};
1763 Tliq :== 78 {K};
1764 lden :== 0.804 {g/cm^3};
1765
1766 END SELECT; (* select component_name*)
1767
1768 END td_component_constants;
1769
1770 MODEL td_component_data_set(
1771 components IS_A set OF symbol_constant;
1772 reference IS_A symbol_constant;
1773 ) WHERE (
1774 (reference IN components) == TRUE;
1775 FOR i IN components CHECK
1776 (* note: keep this list consistent with td_component_constants CASES *)
1777 (i IN ['hydrogen', 'carbon_dioxide', 'water', 'chloroform',
1778 'methane', 'methanol', 'ethylene', 'ethane',
1779 'ethanol', 'propylene', 'acetone', 'propane',
1780 'propadiene', 'n_propanol', 'i_propanol',
1781 'ethylene_glycol', 'n_butane', 'i_butane',
1782 'n_butanol', 'i_butanol', 'n_pentane', 'i_pentane',
1783 'benzene', 'n_hexane', 'toluene', 'n_heptane',
1784 'styrene', 'ethylbenzene', 'n_octane',
1785 'diethylbenzene', 'n_decane', 'diphenyl',
1786 'pentanol_1', 'chloro_benzene', 'oxygen',
1787 'nitrogen' ]) == TRUE;
1788 END FOR;
1789 ) REFINES compmodel;
1790 FOR i IN components CREATE
1791 data[i] IS_A td_component_constants(i);
1792 END FOR;
1793 other IS_A set OF symbol_constant;
1794 other :== [components - [reference]];
1795 END td_component_data_set;
1796
1797 MODEL test_components() REFINES testcmumodel();
1798 tc IS_A td_component_constants('hydrogen');
1799 ds IS_A td_component_data_set(tc.supported_components,'hydrogen');
1800 END test_components;

john.pye@anu.edu.au
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