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revision 457 by aw0a, Wed Apr 5 14:19:41 2006 UTC revision 1729 by jpye, Wed Jan 16 02:55:14 2008 UTC
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1  REQUIRE "atoms.a4l";  (*  ASCEND modelling environment
 (* => atoms.a4l, measures.a4l, system.a4l, basemodel.a4l *)  
 PROVIDE "components.a4l";  
 (*  
  *  
  * WARNINGS:  
  * - The contents of this file represent a physical  
  * properties database of minimal functionality. Such a  
  * database is just messy conceptually in a declarative language,  
  * so we do not apologize for the modeling style found in this  
  * file.  
  *  
  * - We, of course, would like to replace it with a small wrapper to a  
  * thermodynamic information database with a much wider range  
  * of chemical species.  We are aware of no such database of  
  * significant size being placed in the public domain  
  * in source form which we can distribute to all our users.  
  * Nor has any commercial database made available to us without charge the  
  * C level API information required to wrap it from ASCEND.  
  *  
  * 1:  
  * Add species or new correlation coefficients as you need them.  
  * Models you create in the ASCEND IV language are Not subject to  
  * the GNU Public License (GPL) UNLESS you base those models on GNU Public  
  * Licensed ASCEND Libraries. All ASCEND libraries distributed from  
  * Carnegie Mellon are distributed under the GPL unless explicitly noted  
  * as being in the public domain in the distributed source code.  
  *  
  * In the interest of promoting research, we make an EXCEPTION to the  
  * above condition for proprietary physical property data integrated  
  * with ASCEND library models for non-commercial research purposes only.  
  *  
  * If you base a commercial application on GNU Public Licensed ASCEND IV  
  * libraries or modifications or extensions of those libraries, then the  
  * models you create must be released in source code form per the GPL.  
  *  
  * 2: If you have such a properties database to donate, please let us know.  
  * 3:  
  * If you create a wrapper to a proprietary database for use with  
  * ASCEND in a way that entangles your code with our sources, you  
  * are required under the terms of the ASCEND GPL  
  * to _give_ the wrapper code back to us and to make it otherwise  
  * available for public use. This does not require making the  
  * proprietary database public, just the interface. If releasing  
  * such an interface violates the proprietary licensing, then do not  
  * create it in an entangled fashion.  
  * 4:  
  * This components library contains the data of Reid 4th, Appendix A  
  * pages 656-732.  
   
 CMU DISCLAIMER: CMU DISCLAIMER: CMU DISCLAIMER: CMU DISCLAIMER:  
 The authors of ASCEND and Carnegie Mellon University make  
 absolutely NO WARRANTY about the accuracy of this transcription  
 of the RPP data or of the original data itself, nor do they  
 provide any guarantee that the data here represented is  
 suitable for any purpose academic or commercial.  
 CMU DISCLAIMER: CMU DISCLAIMER: CMU DISCLAIMER: CMU DISCLAIMER  
             M C G R A W - H I L L  
 LICENSE       LICENSE       LICENSE       LICENSE       LICENSE        
 Data in this file, except as OTHERWISE noted in the code given, are taken  
 from THE BOOK:  
 The Properties of Gases and Liquids, 4th Edition  
 by Reid, Prausnitz, and Poling, Copyright 1987 McGraw-Hill Companies,  
 with the publisher's permission dated July 20, 1998.  
 This file must not be modified, distributed, or otherwise used  
 without this License notice attached. The conditions of this license  
 and the GNU Public license below both apply.  
   
 Terms from McGraw-Hill:  
 M1 - The data may not be used outside of ASCEND and derivative works.  
 M2 - McGraw-Hill makes no representations or warranties as to the  
     accuracy of any information contained in THE BOOK, or in this  
     transcription of it, including any warranties of merchantability  
     or fitness for a particular purpose. In no event shall McGraw-Hill  
     have any liability to any party for special, incidental, tort, or  
     consequential damages arising out of or in connection with THE  
     BOOK or this transcription of it, even if McGraw-Hill has been  
     advised of the possibility of such damages. All users of ASCEND  
     (or any derivative work) must be provided with written notice of  
     this disclaimer and limitation on liability in the end-user license  
     of ASCEND or any derivative work.  
 M3 - Credit to McGraw-Hill and the authors of THE BOOK shall be visible  
     each time ASCEND is accessed, and at all other reasonable points.  
     Such credit shall include the copyright notice of the McGraw-Hill  
     Companies.  
 M4 - Any work incorporating this information in any way on the WWW  
     (Internet) shall include a hypertext reference to:  
     http://www.bookstore.mcgraw-hill.com  
   
 LICENSE       LICENSE       LICENSE       LICENSE       LICENSE        
             M C G R A W - H I L L  
                                END  
   
  * 5:  
  * If you have questions about any of the above, please contact us  
  * ascend+developers@cs.cmu.edu and aw0a@cs.cmu.edu. We will consider  
  * alternative licensing arrangements on a case-by-case basis subject  
  * to keeping the lawyers and accountants on all sides happy.  
  *)  
   
 (*  
  *  components.a4l  
  *  by Joseph J. Zaher and Ben Allan  
  *  Part of the ASCEND Library  
  *  $Date: 1998/08/17 13:07:19 $  
  *  $Revision: 1.10 $  
  *  $Author: ballan $  
  *  $Source: /afs/cs.cmu.edu/project/ascend/Repository/models/components.a4l,v $  
  *  
  *  This file is part of the ASCEND Modeling Library.  
  *  
2   *  Copyright (C) 1994 Joseph J Zaher   *  Copyright (C) 1994 Joseph J Zaher
3   *  Copyright (C) 1997 Benjamin Andrew Allan   *  Copyright (C) 1997 Benjamin Andrew Allan
4   *  Copyright (C) 1998 Carnegie Mellon University   *  Copyright (C) 1998 Carnegie Mellon University
5   *   *  
6   *  The ASCEND Modeling Library is free software; you can redistribute   *  The ASCEND Modeling Library is free software; you can redistribute
7   *  it and/or modify it under the terms of the GNU General Public   *  it and/or modify it under the terms of the GNU General Public
8   *  License as published by the Free Software Foundation; either   *  License as published by the Free Software Foundation; either
9   *  version 2 of the License, or (at your option) any later version.   *  version 2 of the License, or (at your option) any later version.
10   *   *  
11   *  The ASCEND Modeling Library is distributed in hope that it   *  The ASCEND Modeling Library is distributed in hope that it
12   *  will be useful, but WITHOUT ANY WARRANTY; without even the implied   *  will be useful, but WITHOUT ANY WARRANTY; without even the implied
13   *  warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.   *  warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
14   *  See the GNU General Public License for more details.   *  See the GNU General Public License for more details.
15   *   *  
16   *  You should have received a copy of the GNU General Public License   *  You should have received a copy of the GNU General Public License
17   *  along with the program; if not, write to the Free Software   *  along with the program; if not, write to the Free Software
18   *  Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139 USA.  Check   *  Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139 USA.
  *  the file named COPYING.  
19   *)   *)
20    REQUIRE "atoms.a4l";
21    PROVIDE "components.a4l";
22    (*
23        ASCEND structure for component physical property constants.
24        All anticipated constants which may be used by the models
25        of "thermodynamics.a4l" are created in a general model where
26        a consistent reference state (298.15{K} and 1.0{atm}) is
27        chosen.  Specific refinements to actual chemical species are
28        made UNIVERSAL to ensure only one instantiation of the
29        constants for each component is maintained throughout a
30        user's simulation.  A reference enthalpy and entropy is
31        chosen by default to be those of formation of the component
32        from its elements at the reference state.
33    
34        ... MCGRAW-HILL LICENSE ...
35    
36            Data in this file, except as OTHERWISE noted in the code given, are taken
37            from THE BOOK:
38    
39                The Properties of Gases and Liquids, 4th Edition
40                by Reid, Prausnitz, and Poling, Copyright 1987 McGraw-Hill Companies,
41    
42            with the publisher's permission dated July 20, 1998.
43            This file must not be modified, distributed, or otherwise used
44            without this License notice attached. The conditions of this license,
45            and the GNU Public License, both apply.
46    
47            Terms from McGraw-Hill:
48            M1. The data may not be used outside of ASCEND and derivative works.
49            M2. McGraw-Hill makes no representations or warranties as to the
50                accuracy of any information contained in THE BOOK, or in this
51                transcription of it, including any warranties of merchantability
52                or fitness for a particular purpose. In no event shall McGraw-Hill
53                have any liability to any party for special, incidental, tort, or
54                consequential damages arising out of or in connection with THE
55                BOOK or this transcription of it, even if McGraw-Hill has been
56                advised of the possibility of such damages. All users of ASCEND
57                (or any derivative work) must be provided with written notice of
58                this disclaimer and limitation on liability in the end-user license
59                of ASCEND or any derivative work.
60            M3. Credit to McGraw-Hill and the authors of THE BOOK shall be visible
61                each time ASCEND is accessed, and at all other reasonable points.
62                Such credit shall include the copyright notice of the McGraw-Hill
63                Companies.
64            M4. Any work incorporating this information in any way on the WWW
65                (Internet) shall include a hypertext reference to:
66                http://www.bookstore.mcgraw-hill.com
67    
68        ... end of McGraw-Hill License ...
69    
70        ... CMU DISCLAIMER ...
71    
72            The authors of ASCEND and Carnegie Mellon University make
73            absolutely NO WARRANTY about the accuracy of this transcription
74            of the RPP data or of the original data itself, nor do they
75            provide any guarantee that the data here represented is
76            suitable for any purpose academic or commercial.
77    
78        ... end of CMU disclaimer ...
79    
80        WARNINGS:
81        - The contents of this file represent a physical
82        properties database of minimal functionality. Such a
83        database is just messy conceptually in a declarative language,
84        so we do not apologize for the modeling style found in this
85        file.
86    
87        - We, of course, would like to replace it with a small wrapper to a
88        thermodynamic information database with a much wider range
89        of chemical species.  We are aware of no such database of
90        significant size being placed in the public domain
91        in source form which we can distribute to all our users.
92        Nor has any commercial database made available to us without charge the
93        C level API information required to wrap it from ASCEND.
94    
95        1.
96        Add species or new correlation coefficients as you need them.
97        Models you create in the ASCEND IV language are Not subject to
98        the GNU Public License (GPL) UNLESS you base those models on GNU Public
99        Licensed ASCEND Libraries. All ASCEND libraries distributed from
100        Carnegie Mellon are distributed under the GPL unless explicitly noted
101        as being in the public domain in the distributed source code.
102    
103        In the interest of promoting research, we make an EXCEPTION to the
104        above condition for proprietary physical property data integrated
105        with ASCEND library models for non-commercial research purposes only.
106    
107        If you base a commercial application on GNU Public Licensed ASCEND IV
108        libraries or modifications or extensions of those libraries, then the
109        models you create must be released in source code form per the GPL.
110    
111        2.
112        If you have such a properties database to donate, please let us know.
113    
114        3.
115        If you create a wrapper to a proprietary database for use with
116        ASCEND in a way that entangles your code with our sources, you
117        are required under the terms of the ASCEND GPL
118        to _give_ the wrapper code back to us and to make it otherwise
119        available for public use. This does not require making the
120        proprietary database public, just the interface. If releasing
121        such an interface violates the proprietary licensing, then do not
122        create it in an entangled fashion.
123    
124        4.
125        This components library contains the data of Reid 4th Ed, Appendix A
126        pages 656-732.
127    
128        5.
129        If you have questions about any of the above, please contact us
130        ascend+developers@cs.cmu.edu and aw0a@cs.cmu.edu. We will consider
131        alternative licensing arrangements on a case-by-case basis subject
132        to keeping the lawyers and accountants on all sides happy.
133    
134        6.
135        The frontiers of group contribution methods have moved on
136        well past the data presented here and the correlations
137        it is used with. Users with a penchant for thermodynamic
138        detail are advised to MODEL their own favorite correlations.
139    
140        7.
141        The local name of every instance of this MODEL
142        (since it is UNIVERSAL) should always be uc.
143        In the comments that follow, we will use uc where applicable.
144    *)
145    
146    (*
147        components.a4l originally by Joseph J. Zaher
148    
149        CHANGELOG
150        
151        07/91 - Original code.
152        02/92 - Made compatible with new set version of ASCEND.
153           Expanded data base, revised vapor pressure data,
154           and added UNIFAC group and subgroup sets with help
155           of Bob Huss.
156        07/92 - Expanded data base with help of Kay C. Dee.
157        08/92 - Replaced name attribute of each component with a
158           formula attribute.  Component names are free to be
159           specified by the user.
160        03/94 - Made compatible with gnu-ascend.
161        08/94 - Made compatible with H,G or H,S thermo library,
162           and with Wilson models written by Boyd Safrit.
163        02/96 - Made compatible with ASCEND IV. Ben Allan.
164        01/97 - Addition OF td_component_constants by _____
165        01/97 - All constants checked by Jennifer Perry
166             03/97 - Added container models for data groups. BAA.
167        03/98 - 99% of the code in this file should be reduced
168            to a call on a database.
169        07/98 - Add Reid et al. data. Duncan Coffey.
170                      UNIFAC needs more work.
171    *)
172    
173    (*
174        Wilson pairs checked by Boyd
175    
176  (**      i_propanol-water
177   **      i_propanol-ethylene_glycol
178   **  C  O  M  P  O  N  E  N  T  S  .  A 4 L      ethylene_glycol-water
179   **  ----------------------------------------      acetone-chloroform
180   **      acetone-benzene
181   **  AUTHOR:      Joseph J. Zaher      acetone-methanol
182   **      methanol-water
183   **  DATES:    07/91 - Original code.      benzene-chloroform
184   **        02/92 - Made compatible with new set version of ASCEND.      propadiene-propylene    provided by Vince Verneulli OF Sim Sci
185   **            Expanded data base, revised vapor pressure data,      propadiene-propane  provided by Vince Verneulli OF Sim Sci
186   **            and added UNIFAC group and subgroup sets with help      propylene-propane   provided by Vince Verneulli OF Sim Sci
  **            of Bob Huss.  
  **        07/92 - Expanded data base with help of Kay C. Dee.  
  **        08/92 - Replaced name attribute of each component with a  
  **            formula attribute.  Component names are free to be  
  **            specified by the user.  
  **        03/94 - Made compatible with gnu-ascend.  
  **        08/94 - Made compatible with H,G or H,S thermo library,  
  **            and with Wilson models written by Boyd Safrit.  
  **       02/96 - Made compatible with ASCEND IV. Ben Allan.  
  **       01/97 - Addition OF td_component_constants by _____  
  **       01/97 - All constants checked by Jennifer Perry  
  **               03/97 - Added container models for data groups. BAA.  
  **       03/98 - 99% of the code in this file should be reduced  
  **             to a call on a database.  
  **       07/98 - Add Reid et al. data. Duncan Coffey.  
  **                       UNIFAC needs more work.  
  **  
  **  
  **  CONTENTS:  ASCEND structure for component physical property constants.  
  **        All anticipated constants which may be used by the models  
  **        of "thermodynamics.a4l" are created in a general model where  
  **        a consistent reference state (298.15{K} and 1.0{atm}) is  
  **        chosen.  Specific refinements to actual chemical species are  
  **        made UNIVERSAL to ensure only one instantiation of the  
  **        constants for each component is maintained throughout a  
  **        user's simulation.  A reference enthalpy and entropy is  
  **        chosen by default to be those of formation of the component  
  **        from its elements at the reference state.  
  **  
  **  
  **)  
   
 (* Wilson pairs checked by Boyd  
 i_propanol-water  
 i_propanol-ethylene_glycol  
 ethylene_glycol-water  
 acetone-chloroform  
 acetone-benzene  
 acetone-methanol  
 methanol-water  
 benzene-chloroform  
 propadiene-propylene    provided by Vince Verneulli OF Sim Sci  
 propadiene-propane  provided by Vince Verneulli OF Sim Sci  
 propylene-propane   provided by Vince Verneulli OF Sim Sci  
187  *)  *)
188    
189  MODEL compmodel() REFINES cmumodel();  MODEL compmodel() REFINES cmumodel();
# Line 215  REFERENCE: Line 215  REFERENCE:
215  The reference for the bulk of this MODEL is  The reference for the bulk of this MODEL is
216  Reid, Prausnitz & Poling, Properties of Gases and Liquids,  Reid, Prausnitz & Poling, Properties of Gases and Liquids,
217  1986, Chapter 8.  1986, Chapter 8.
 DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER:  
 The authors of ASCEND and Carnegie Mellon University make  
 absolutely NO WARRANTY about the accuracy of this transcription  
 of the RPP data or of the original data itself, nor do they  
 provide any guarantee that the data here represented is  
 suitable for any purpose academic or commercial.  
 DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER: DISCLAIMER:  
 NOTES:  
 The frontiers of group contribution methods have moved on  
 well past the data presented here and the correlations  
 it is used with. Users with a penchant for thermodynamic  
 detail are advised to MODEL their own favorite correlations.  
 COMMON USAGE:  
 The local name of every instance of this MODEL  
 (since it is UNIVERSAL) should always be uc.  
 In the comments that follow, we will use uc where applicable.  
218  ANNOTATED:  ANNOTATED:
219  10/96 Ben Allan  10/96 Ben Allan
220  *)  *)

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john.pye@anu.edu.au
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