New insight into the formation of structural defects in poly(vinyl chloride)

Macromolecules

Volumn 38, Issue 15, 2005, Pages 6352-6366

  Purmova, Jindra ^a   Pauwels, Kim F D ^a   Van Zoelen, Wendy ^a   Vorenkamp, Eltjo J ^a   Scheuten, Arend J ^a   Coote, Michelle L ^b  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR STRUCTURE; POLYMERIZATION; PRESSURE EFFECTS; SPECTROMETRY; STABILIZERS (AGENTS); THERMODYNAMIC STABILITY;

CHLOROALLYLIC END GROUPS; METHYL BRANCHES; STRUCTURAL DEFECTS; TERTIARY CHLORINE;

POLYVINYL CHLORIDES;

EID: 23744514788     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma050035p     Document Type: Article

References (74)

1. Asahina, M.; Onozuka, M. J. Polym. Sci., Polym. Chem. Ed. 1964, 2, 3505-3513.
2. See for example: Braun, D. J. Vinyl Addit. Technol. 2001, 7, 168-176.
3. Vinyl 2010 Sustainable Development: Progress Report 2003. http://www.stabilisers.org/pr2003/PROGRESS%20REPORT%202003.pdf; 2003, p 13-14.
4. Reviewed in: Steenwijk, J. (Natural) Polyols as Stabilisers for Heavy Metal-Free PVC: The Stabilising Mechanism and the Influence on Rheology, Dissertation, Utrecht University, 2003; pp 15-27.
5. Starnes, W. H., Jr. Prog. Polym. Sci. 2002, 27, 2133-2170.
6. Hjertberg, T.; Sörvik, E. M. ACS Symposium Series 280; American Chemical Society: Washington, DC, 1985; 259-284.
7. Hjertberg, T.; Sörvik, E. M. J. Macromol. Sci., Chem. 1982, A17, 983-1004.
8. Hjertberg, T.; Sörvik, E. M. Polymer 1983, 24, 673-684.
9. Hjertberg, T.; Sörvik, E. M. Polymer 1983, 24, 685-692.
10. Starnes, W. H., Jr.; Schilling, F. C.; Plitz, L M.; Cais, R. E.; Freed, D. J.; Hartless, R. I.; Bovey, F. A. Macromolecules 1983, 16, 790-807.
11. Starnes, W. H., Jr.; Chung, H.; Wojciechowski, B. J.; Skillicorn, D. E.; Benedikt, G. M. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 1993, 34, 114-115.
12. Starnes, W. H., Jr.; Zaikov, V. G.; Chung, H. T.; Wojciechowski, B. J.; Tran, H. V.; Saylor, K.; Benedikt, G. M. Macromolecules 1998, 31, 1508-1517.
13. LLauro-Darricades, M.-F.; Bensemra, N.; Guyot, A.; Pétiaud, R. Makromolekul. Chem., Macromol. Symp. 1989, 29, 171-184.
14. Starnes, W. H., Jr.; Chung, H.; Wojciechowski, B. J.; Skillicorn, D. E.; Benedikt, G. M. In Polymer Durability: Degradation, Stabilization, and Lifetime Prediction; Advances in Chemistry Series 249; American Chemical Society: Washington, DC, 1996, 249, 3-18.
15. Xie, T. Y.; Hamielec, A. E.; Rogestedt, M.; Hjertberg, T. Polymer 1994, 35, 1526-1535.
16. Starnes, W. H., Jr.; Hartless, R. I.; Schilling, F. C.; Bovey, F. A. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 1977, 18, 499-504.
17. Hjertberg, T.; Wendel, A. Polymer 1982, 23, 1641-1645.
18. Skillicorn, D. E.; Perkins, G. G. A.; Slark, A.; Dawkins, J. V. J. Vinyl Technol. 1993, 15, 105-108.
19. LLauro-Darricades, M.-F.; Guyot, A. J. Macromol. Sci., Chem. 1986, A23, 221-269.
20. Marion, D.; Wuthrich, K. Biochem. Biophys. Res. Commun. 1983, 113, 967-974.
21. Starnes, W. H., Jr. Macromolecules 1985, 18, 1780-1786.
22. (a) ACD/CNMR Predictor, version 3.50; Advanced Chemistry Development Inc.: Toronto, 1998.
23. (b) Chem Draw Ultra, version 8.0.3; CambridgeSoft Corporation: Cambridge, MA, USA, 2003.
24. Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
25. Koch, W.; Holthausen, M. C. A Chemist's Guide to Density Functional Theory; Wiley-VCH: Weinheim, 2000.
26. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, Jr., J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Canimi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.02; Gaussian, Inc., Wallingford CT, 2004.
27. Werner, H.-J.; Knowles, P. J.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Celani, P.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Hetzer, G.; Korona, T.; Lindh, R.; Lloyd, A. W.; McNicholas, S. J.; Manby, F. R.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pitzer, R.; Rauhut, G.; Schütz, M.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T. MOLPRO version 2000.6; University of Birmingham: Birmingham, 1999.
28. Coote, M. L., J. Phys. Chem. A 2004, 108, 3865-3872.
29. Gómez-Balderas, R.; Coote, M. L.; Henry, D. J.; Radom, L. J. Phys. Chem. A 2004, 108, 2874-883.
30. Lynch, B. J.; Truhlar, D. G. J. Phys. Chem. A 2001, 105, 2936-2941.
31. Henry, D. J.; Sullivan, M. B.; Radom, L. J. Chem. Phys. 2003, 118, 4849-4860.
32. See for example: (a) Stull, D. R.; Westrum, E. F. Jr.; Sinke, G. C. The Thermodynamics of Organic Compounds; John Wiley & Sons: New York, 1969.
33. (b) Robinson, P. J. J Chem. Educ. 1978, 55, 509-510.
34. (c) Steinfeld, J. I.; Francisco, J. S.; Hase, W. L. Chemical Kinetics and Dynamics; Prentice Hall: Englewood Cliffs, New Jersey, 1989.
35. These are summarized in the Supporting Information of the recent publication: Coote, M. L.; Radom, L. Macromolecules 2004, 37, 590-596.
36. Eckart, C. Phys. Rev. 1930, 35, 1303.
37. For more details on this procedure, see for example: Coote, M. L.; Collins, M. A.; Radom, L. Mol. Phys. 2003, 101, 1329-1338.
38. Coote, M. L. In Encyclopedia of Polymer Science and Technology, 3rd ed.; Kroschwitz, J. I., Ed.; John Wiley & Sons: New York, 2004; Vol. 9, pp 319-371.
39. LLauro-Darricades, M.-F.; Guyot, A. J. Macrotnol. Sci., Chem. 1986, A23, 221-269.
40. Starnes, W. H., Jr.; Villacorta, G. M.; Schilling, F. C. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 1981, 22, 307-308.
41. Wescott, L. D. Macromolecules 1984, 17, 2501-2507.
42. Braun, D.; Sonderhof, D. Eur. Polym. J. 1982, 18, 141-148.
43. (a) Bauer, J.; Sabel, A. Angew. Makromol. Chem. 1975, 47, 15-27.
44. (b) George, M. H.; Garton, A. J. Macromol. Sci., Chem. Ed. 1977, A11, 1389-1410.
45. (c) Lederer, M. Angew. Chem. 1959, 71, 162.
46. Pauwels, K. F. D.; Purmova, J.; Schouten, A. J. To be published.
47. Starnes, W. H., Jr.; Wojciechowski, B. J. Makromol. Chem., Macromol. Symp. 1993, 70/71, 1-11.
48. Rigo, A.; Palma, G.; Talamini, G. Makromol. Chem. 1972, 153, 219-228.
49. Purmova, J.; Pauwels, K. F. D. Vorenkamp, J. E.; Schouten, A. J. To be published.
50. Park, G. S.; Saleem, M. Polym. Bull. 1979, 1, 409-413.
51. Starnes, W. H., Jr.; Schilling, F. C.; Abbås, K. B.; Cais, R. E.; Bovey, F. A. Macromolecules 1979, 12, 556-562.
52. Nesmeyanov, A. N.; Freidlina, R. Kh.; Kost, V. N.; Khorlina, M. Ya. Tetrahedron 1961, 16, 94-125.
53. Xie, T. Y.; Hamielec, A. E.; Wood, P. E.; Woods, D. R. J. Appl. Polym. Sci. 1987, 34, 1749-1766.
54. Burnett, G. M.; Wright, W. W. Proc. R. Soc. London 1954, A221, 41-53.
55. -1 were reported at 25°C by Kajiwara et al. Macromol. Chem. Phys. 2000, 201, 2165-2169
56. -1 at 25°C, which is in excellent agreement with these literature values.
57. Coote, M. L. Aust. J. Chem. 2004, 57, 1125-1132.
58. Talamini, G.; Visentini, A.; Kerr, J. Polymer 1998, 39, 1879-1891.
59. Ravey, M.; Waterman, J. A.; Shorr, L. M.; Kramer, M. J. Polym. Sci., Polym. Chem. Ed. 1974, 12, 2821-2843.
60. See for example: (a) Hamielec, A. E. In Science and Technology of Polymer Colloids; Poehlein, G. W., Ottweil, R. H., Goodwin, J. W. E., Eds.; Martinus Nijhof Publishers: The Hague, 1983; p 140.
61. (b) Xie, T. Y.; Hamielec, A. E.; Wood, P. E.; Woods, D. R. Polymer 1991, 32, 537-557.
62. (c) Kiparissides, C.; Daskalakis, G.; Achilias, D. S.; Sidiropoulou, E. Ind. Eng. Chem. Res. 1997, 36, 1253-1267.
63. Smoluchowski, M. Z. Phys. Chem. 1918, 92, 129.
64. Clay, P. A.; Gilbert, R. G. Macromolecules 1995, 28, 552-569.
65. See for example: (a) Dullien, A. L. AIChE J. 1972, 18, 62-70.
66. (b) Zielinski, J. M. Macromolecules 1996, 29, 6044-6047.
67. Masaro, L.; Zhu, X. X. Prog. Polym. Sci. 1999, 24, 731-775.
68. Bueche, F. Physical Properties of Polymers; Wiley-Interscience: New York, 1962.
69. De Roo, T.; Heynderickx, G. J.; Marin, G. B. Macromol. Symp. 2004, 206, 215-228.
70. Starnes, W. H., Jr.; Wojciechowski, B. J.; Chung, H.; Benedikt, G. M.; Park, G. S.; Saremi, A. H. Macromolecules 1995, 28, 945-949.
71. Rigo, A.; Palma, G.; Talamini, G. Makromol. Chem. 1972, 153, 219-228.
72. Starnes, W. H., Jr.; Wojciechowski, B. J.; Velazquez, A.; Benedikt, G. M. Macromolecules 1992, 25, 3638-3641.
73. Starnes, W. H., Jr.; Chung, H.; Pike, R. D.; Wojciechowski, B. J.; Zaikov, V. G.; Benedikt, G. M.; Goodall, B. L.; Rhodes, L. F. Polym. Prepr. 1995, 36, 404-405.
74. Lenz, R. W.; Feay, D. C.; Schneider, N. S. Organic Chemistry of Synthetic High Polymers; Wiley-Interscience: London, 1967; pp 292-295.