Continuous polydisperse thermodynamic algorithm for a modified Flory-Huggins model: the (polystyrene + nitroethane) example

Journal of Polymer Science, Part B: Polymer Physics

Volumn 38, Issue 4, 2000, Pages 632-651

  De Sousa, Hermínio C ^a,b   Rebelo, Luís P N ^b  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b DEPARTAMENTO DE QUÍMICA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

LEAST SQUARES APPROXIMATIONS; MATHEMATICAL MODELS; MOLECULAR WEIGHT; PHASE DIAGRAMS; PHASE EQUILIBRIA; PRESSURE EFFECTS; SUBSTITUTION REACTIONS; THERMODYNAMICS;

FLORY-HUGGINS MODEL; POLYDISPERSITY; POLYMER SOLUTIONS; STATISTICAL THEORY;

POLYSTYRENES;

EID: 0342297907     PISSN: 08876266     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1099-0488(20000215)38:4<632::AID-POLB15>3.0.CO;2-Q     Document Type: Article

References (128)

1. (a) Luszczyk, M.; Rebelo, L. P. N.; Van Hook, W. A. Macromolecules 1995, 28(3), 745-767;
2. (b) Luszczyk, M.; Van Hook, W. A. Macromolecules 1996, 29(20), 6612-6620.
3. Rebelo, L. P. N.; Van Hook, W. A. J Polym Sci Part B: Polym Phys 1993, 31, 895-897.
4. Vanhee, S.; Koningsveld, R.; Berghmans, H.; Sole, K. J Polym Sci Part B: Polym Phys 1994, 32, 2307-2309.
5. Rebelo, L. P.; de Sousa, H. C., Van Hook, W. A. J Polym Sci Part B: Polym Phys 1997, 35, 631-637.
6. Sole, K.; Koningsveld, R. J Phys Chem 1992, 96, 4056-4068.
7. Qian, C.; Mumby, S. J.; Eichinger B. E. Macromolecules 1991, 24, 1655-1661.
8. (a) Sorensen, J. M.; Arlt, W. Liquid-Liquid Equilibrium Data Collection 1. Binary Systems, DECHEMA Chemistry Data Series, Frankfurt, 1979;
9. (b) Danner, R. P.; High, M. S. Handbook of Polymer Solution Thermodynamics, DIPPR 881 Project, American Institute of Chemical Engineers, New York, 1993.
10. Deveke, D. J. Ph.D. Thesis, Pennsylvania State University, USA, 1993.
11. Saraiva, A. Ph.D. Thesis, Technical University of Denmark, Lingby, Denmark, 1995.
12. de Sousa, H. C. Ph.D. Thesis, New University of Lisbon, Lisbon, Portugal, 1997.
13. Imre, A.; Van Hook, W. A. J Phys Chem Ref Data 1996, 25(2), 637-661.
14. (a) Sole, K; Stockmayer, W. H.; Lipson, G. E. J.; Koningsveld, R. In Multiphase Macromolecular Systems; Culberston, B. M., Ed.; Plenum Press: New York, 1989; Vol. 6;
15. (b) Sole, K.; Kleintjens, L. A.; Koningsveld, R. Macromolecules 1984, 17, 573.
16. de Sousa, H. C.; Rebelo, L. P. N. J Chem Thermodyn 2000, 32, in press.
17. (a) Qian, C.; Mumby, S. J.; Eichinger, B. E. J Polym Sci Part B: Polym Phys 1991, 29, 635-637;
18. (b) Mumby, S. J.; Qian, C.; Eichinger, B. E. Polymer 1992, 33, 5105;
19. (c) Mumby, S. J.; Sher, P.; Eichinger B. E. Polymer 1993, 34, 2540-2545;
20. (d) Mumby, S. J.; Sher, P. Macromolecules 1994, 27, 689-694.
21. (a) Ratzsch, M. T.; Kehlen, H. Fluid Phase Equilib 1983, 14, 225-234;
22. (b) Ratzsch, M. T.; Kehlen, H.; Bergmann, J. AIChE J 1985, 31(7), 1136-1148
23. (c) Ratzsch, M. T.; Kehlen, H. Prog Polym Sci 1989, 14, 1-46.
24. Chang, T. S. Proc Cambridge Philos Soc 1939, 35, 265.
25. (a) Flory, P. J.; J Chem Phys 1941, 9, 660-661;
26. (b) Flory, P. J. J Chem Phys 1942, 10, 51-61.
27. (a) Huggins, M. L. J Chem Phys 1941, 9, 440-440;
28. (b) Huggins, M. L. J Phys Chem 1942, 46, 151.
29. Guggenheim, E. A. Mixtures; Clarendon Press: Oxford, UK, 1952.
30. Saraiva, A.; Bogdanic, G.; Fredenslund, Aa. Ind Eng Chem Res 1995, 34, 1835-1841.
31. (a) Hildebrand, J. H. J Chem Phys 1947, 15, 225-228;
32. (b) Hansen, C. M. J Paint Technol 1967, 39, 104-117.
33. Shultz, A. R.; Flory, P. J. J Am Chem Soc 1952, 74, 4760.
34. (a) Fox, T. G. Polymer 1962, 3, 111-128;
35. (b) Van Krevelen, D. W.; Hoftyser, P. J.; J Appl Polym Sci 1967, 11, 2189-2200;
36. (c) Klein, J.; Jeberien, H.-E. Makromol Chem 1980, 181, 1237;
37. (d) Wakker, A.; van Dijk, F.; van Dijk, M. A. Macromolecules 1993, 26, 5088.
38. (a) Koningsveld, R.; Kleintjens, L. A. Macromolecules 1971, 4, 637-641;
39. (b) Sole, K; Kleintjens, L. A.; Koningsveld, R. Macromolecules 1984, 17, 573-585;
40. (c) Rang, C. H.; Sandler, S. I. Fluid Phase Equilib 1987, 38, 245-272;
41. (d) Tong, Z.; Einaga, H.; Miyashita, H.; Fujita, H. Macromolecules 1987, 20, 1883-1887;
42. (e) Bae, Y. C.; Soane, D. S.; Shim, J. J.; Prausnitz, J. M. J Appl Polym Sci 1993, 47, 1193-1206;
43. (f) Cheluget, E. L.; Weber, M. E.; Vera, J. H. Chem Eng Sci 1993, 48(8), 1415-1426.
44. (a) Simha, R.; Somcynsky, T. Macromolecules 1969, 2, 342-350;
45. (b) Nies, E.; Stroeks, A. Macromolecules 1990, 23, 4088-4092;
46. (c) Zhong, C.; Wang, W.; Lu, H. Fluid Phase Equilib 1993, 83, 137-146.
47. (a) Shouten, J. A.; Ten Seldam, C. A.; Trappeniers, N. J. Physica 1974, 73, 556;
48. (b) Kleintjens, L. A. Fluid Phase Equilib 1983, 10, 183;
49. (c) Koningsveld, R.; Kleintjens, L.A.; Leblans-Vinck, A. M. J Phys Chem 1987, 91, 6423-6428.
50. (a) Sanchez, I. C.; Lacombe, R. H. J Phys Chem 1976, 80, 2352-2362;
51. (b) Sanchez, I. C.; Lacombe, R. H. Macromolecules 1978, 11, 1145-1156;
52. (c) Panayiotou, C.; Vera, J. H. Polymer J 1982, 14, 681-694;
53. (d) Kumar, S. K.; Suter, U. W.; Reid, R. C. Ind Eng Chem Res 1987, 26, 2532;
54. (e) High, M. S.; Danner, R. P.; Fluid Phase Equilib 1990, 55, 1-15;
55. (f) Bawendi, M. G.; Freed, K. F. J Chem Phys 1988, 88, 2741-2756;
56. (g) Freed, K. F.; Bawendi, M. G. J Phys Chem 1989, 93, 2194-2203;
57. (h) Dickman, R.; Hall, C. J Chem Phys 1988, 85, 4108;
58. (i) Hu, Y.; Lambert, S. M.; Soane, D. S.; Prausnitz, J. M. Macromolecules 1991, 24, 4356-4363;
59. (j) Anderko, A. Int J Thermophys 1994, 15(6), 1221-1229;
60. (k) Sanchez, I. C.; Balazs, A. C. Macromolecules 1989, 22, 2325-2331.
61. Dee, G. T.; Walsh, D. J. Macromolecules 1988, 21, 811.
62. (a) Beret, S.; Prausnitz, J. M. AIChE J 1975, 21, 1123-1132;
63. (b) Morris, W.O.; Vimalchand, P.; Donohue, M. D. Fluid Phase Equilib 1987, 32, 103-115;
64. (c) Kontogeorgis, G. M.; Harismiadis, V. I.; Fredenslund, Aa.; Tassios, D. P. Fluid Phase Equilib 1994, 96, 65-92.
65. (a) Chapman, W. G.; Gubbins, K. E.; Jackson, G.; Radosz, M. Fluid Phase Equilib 1989, 52, 31;
66. (b) Huang, S. H.; Radosz, M. Ind Eng Chem Res 1990, 29, 2284-2294;
67. (c) Chen, C.-K.; Duran, M. A.; Radosz, M. Ind Eng Chem Res 1993, 32, 3123-3127;
68. (d) Wu, C. S.; Chen, Y. P. M .; Fluid Phase Equilib 1994, 100, 103-119.
69. (a) Hino, T.; Song, Y.; Prausnitz, J. M. Macromolecules 1994, 27, 5681-5690;
70. (b) Song, Y.; Lambert, S. M.; Prausnitz, J. M. Macromolecules 1994, 27, 441-448;
71. (c) Song, Y.; Hino, T.; Lambert, S. M.; Prausnitz, J. M. Fluid Phase Equilib 1996, 117, 69-76.
72. Chien, C. H.; Greenkorn, R. A.; Chao, K. C. AIChE J 1983, 29, 560.
73. (a) Prigogine, I.; Bellemans, A.; Mathot, V. The Molecular Theory of Solutions; North-Holland: Amsterdam, 1957;
74. (b) Flory, P. J.; Orwoll, R. A.; Vrij, A. J Am Chem Soc 1964, 86, 3507-3514;
75. (c) Patterson, D.; Delmas, G. Macromolecules 1969, 2(6), 672-677.
76. (a) Fredenslund, Aa.; Jones, R. L.; Prausnitz, J. M. AIChE J 1975, 24(1), 1086-1089;
77. (b) Oishi, T.; Prausnitz, J. M. Ind Eng Chem Process Des Dev 1978, 17, 333-339;
78. (c) Carvoli, G.; Castelli, A.; Marconi, A. M. Fluid Phase Equilib 1990, 56, 257-267;
79. (d) Elbro, H. S.; Fredenslund, Aa.; Rasmussen, P. Macromolecules 1990, 23, 4707-4714;
80. (e) Kontogeorgis, G. M.; Saraiva, A.; Fredenslund, Aa.; Tassios, D. P. Ind Eng Chem Res 1995, 34, 1823-1834;
81. (f) Iwai, Y.; Shigematsu, Y.; Furuya, T.; Fukuda, H.; Arai, Y. Polym Eng Sci 1993, 33, 480-485.
82. (a) Heil, J. F.; Prausnitz, J. M. AIChE J 1966, 12(4), 678-685;
83. (b) Brandani, V.; Macromolecules 1979, 12(5), 883-889;
84. (c) Cui, Y.; Donohue, M. D. Macromolecules 1992, 25(24), 6489-6494;
85. (d) Vetere, A. Fluid Phase Equilib 1994, 97, 43-52;
86. (e) Lai, C. H.; Paul, D. R.; Barlow, J. W. Macromolecules 1988, 21, 2492-2502.
87. (a) Harismiadis, V. I.; Kontogeorgis, G. M.; Fredenslund, Aa.; Tassios, D. P. Fluid Phase Equilib 1994, 96, 93-117;
88. (b) Saraiva, A.; Kontogeorgis, G. M.; Harismiadis, V. I.; Fredenslund, Aa.; Tassios, D. P. Fluid Phase Equilib 1995, 115, 73-93.
89. Vimalchand, P.; Donohue, M. D. J Phys Chem 1989, 93, 4355-4360.
90. Flory, P. J. Discuss Faraday Soc 1970, 49, 7-29.
91. Sandler, S. I. Models for Thermodynamics and Phase Equilibria Calculations; Marcel Dekker: New York, 1994; p 191.
92. Rebelo, L. P. N. Phys Chem Chem Phys 1999, 1, 4277-4286.
93. Bae, Y. C.; Soane, D. S.; Shim, J. J.; Prausnitz, J. M. J Appl Polym Sci 1993, 47, 1193-1206.
94. (a) Koningsveld, R.; Kleintjens, L. A. Macromolecules 1971, 4, 637-641;
95. (b) Gundert, F.; Wolf, B. A. In Polymer Handbook; Brandrup, J.; Immergut, E. H., Eds.; Wiley: New York, 1989;
96. (c) Eichinger, B. E. J Chem Phys 1970, 53, 561;
97. (d) Kamide, K. Thermodynamics of Polymer Solutions. Phase Equilibria and Critical Phenomena; Elsevier: Amsterdam, 1990;
98. (e) French, D. M. J Polym Sci Part C: Polym Lett 1988, 26, 469.
99. Orwoll, R. J. Rubber Chem Technol 1977, 452, 50.
100. (a) Koningsveld, R.; Staverman, A. J. J Polym Sci Part A.2 1968, 6, 305-325;
101. (b) Riedl, B.; Prud'homme, R. E. J Polym Sci Polym Phys Ed 1988, 26, 1769;
102. (c) Barton, A. F. M. Handbook of Polymer-Liquid Interaction Parameters and Solubility Parameters; CRC Press: Boca Raton, FL, 1990;
103. (d) Brandrup, J.; Immergut, E. H. Polymer Handbook, 3rd ed.; Wiley: New York, 1989.
104. Cheluget, E. L.; Weber, M. E.; Vera, J. H. Chem Eng Sci 1993, 48(8), 1415-1426.
105. Gibbs, J. W. The Scientific Papers of J. Willard Gibbs; Dover Publications: New York, 1961; Vol. 1.
106. de Sousa, H. C.; Rebelo, L. P. N. Proceedings of the 3rd ISASF Congress; Brunner, G.; Perrut, M.; Eds.; Strasbourg, October 1994, Tome 1; pp 295-300.
107. (a) Chee, K. K. J Appl Polym Sci 1981, 25, 4299-4305;
108. (b) Kiran, E.; Zhuang, W. J Supercrit Fluids 1994, 7, 1-8;
109. (c) Hu, Y.; Ying, X.; Wu, D. T.; Prausnitz, J. M. Fluid Phase Equilib 1995, 104, 229-252.
110. Koningsveld, R.; Staverman, A. J. J Polym Sci Part A.2 1968, 6, 349-366.
111. (a) Gualtieri, J. A.; Kincaid, J. M.; Morrison, G. J Chem Phys 1982, 77, 521;
112. (b) Salacuse, J. J.; Stell, G. J Chem Phys 1982, 77, 3714;
113. (c) Briano, J. G.; Glandt, E. D. Fluid Phase Equilib 1983, 14, 91.
114. (a) Lustig, S. R.; Caruthers, J. M.; Peppas, N. A. Chem Eng Sci 1992, 47(12), 3037-3057;
115. (b) Cotterman, R. L.; Bender, R.; Prausnitz, J. M. Ind Eng Chem Proc Des Dev 1985, 24, 194-203;
116. (c) Willman, B. T.; Teja, A. S. AIChE J 1986, 32(12), 2067-2078;
117. (d) Du, P. C.; Ali Mansoori, G. Fluid Phase Equilib 1986, 30, 57-64;
118. (e) Ying, X.; Ye R.; Hu, Y.; Fluid Phase Equilib 1989, 53, 407-414;
119. (f) Kramarz, J.; Wyczesany, A. Chem Eng Sci 1993, 48(9), 1665-1673.
120. (a) Szydlowski, J.; Van Hook, W. A. Macromolecules 1991, 24(17), 4883-4891;
121. (b) Szydlowski, J.; Van Hook, W. A. J Polym Sci Part B: Polym. Phys 1991, 29, 1437-1439;
122. (c) Szydlowski, J.; Rebelo, L. P.; Van Hook, W. A. Rev Sci Instrum 1992, 63(2), 1717-1725.
123. Guggenheim, E. A. Application of Statistical Mechanics; Clarendon Press: Oxford, U.K, 1966.
124. (a) Bigeleisen, J. J Chem Phys 1961, 34, 1485;
125. (b) Jancsó, G.; Van Hook, W. A. Chem Rev 1974, 74, 689;
126. (c) Jancsó, G.; Rebelo, L. P. N.; Van Hook, W. A.; Chem Rev 1993, 93, 2645-2666;
127. (d) Jancsó, G.; Rebelo, L. P. N.; Van Hook, W. A. Chem Soc Rev 1994, 23, 257-264;
128. (e) Bigeleisen, J.; Cragg, C. B.; Jeevanandam, M. J Chem Phys 1967, 47, 4335-4346.