Molecular modeling simulations to predict compatibility of poly(vinyl alcohol) and chitosan blends: A comparison with experiments

Journal of Physical Chemistry B

Volumn 111, Issue 10, 2007, Pages 2431-2439

  Jawalkar, Sheetal S ^a   Raju, Kothapalli V S N ^b   Halligudi, Shivaraj B ^c   Sairam, Malladi ^d   Aminabhavi, Tejraj M ^a  

^a KARNATAK UNIVERSITY   (India)

^b INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

^c NATIONAL CHEMICAL LABORATORY   (India)

^d IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; COMPUTER SIMULATION; MATHEMATICAL MODELS; POLYMER BLENDS; POLYVINYL ALCOHOLS; REACTION KINETICS;

BLEND COMPATIBILITY; CHITOSAN BLENDS; MOLECULAR MODELING SIMULATIONS; SEPARATION MEMBRANES;

MOLECULAR DYNAMICS;

EID: 34047262977     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0668495     Document Type: Article

References (47)

1. van der Lubben, I. M.; Verhoef, J. C.; van Aelst, A. C.; Borchard, G.; Junginger, H. E. Biomaterials 2001, 22, 687-694.
2. Genta, I.; Perugini, P.; Pavanetto, F. Drug Dev. Ind. Pharm. 1998, 24, 779-784.
3. Agnihotri, S. A.; Aminabhavi, T. M. J. Controlled Release 2004, 96, 245-259.
4. Agnihotri, S. A.; Mallikarjuna, N. N.; Aminabhavi, T. M. J. Controlled. Release 2004, 100, 5-28.
5. Dubey, V.; Pandey, L. K.; Saxena, C. J. Membr. Sci. 2005, 251, 131-136.
6. Anjali Devi, D.; Smitha, B.; Sridhar, S.; Aminabhavi, T. M. J. Membr. Sci. 2005, 262, 91-99.
7. Mochizuki, A.; Amiya, S.; Sato, Y.; Ogawara, H.; Yamashita, S. J. Appl. Polym. Sci. 1989, 37, 3385-398.
8. Smitha, B.; Sridhar, S.; Khan, A. A. Macromolecules 2004, 37, 2234-2239.
9. Smitha, B.; Sridhar S.; Khan, A. A. Eur. Polym. J. 2005, 41, 1859-1866.
10. Huang, Y.; Onyeri, S.; Siewe, M.; Moshfeghian, A.; Madihally, S. V. Biomaterials 2005, 26, 7616-7627.
11. Kurkuri, M. D.; Aminabhavi, T. M. J. Controlled Release 2004, 96, 9-20.
12. Yu, J.; Lee, C. H.; Hong, W. H. Chem. Eng. Process. 2002, 41, 693-698.
13. Srinivasa, P. C.; Ramesh, M. N.; Kumar, K. R.; Tharanathana, R. N. Carbohydr. Polym. 2003, 53, 431-438.
14. Kim, S. J.; Park, S. J.; Kim, S. I. React. Funct. Polym. 2003, 55, 53-59.
15. Naidu, B. V. K.; Sairam, M.; Raju, K. V. S. N.; Aminabhavi, T. M. Carbohydr. Polym. 2005, 61, 52-60.
16. Miura, K.; Kimura, N.; Suzuki, H.; Miyashita, Y.; Nishio, Y. Carbohydr. Polym. 1999, 39, 139-144.
17. Fraaije, J. E. M. J. Chem. Phys. 1993, 99, 9202.
18. Fraaije, J. G. E. M.; van Vlimmeren, B. A. C.; Maurits, N. M.; Postma, M.; Evers, O. A.; Hoffman, C.; Altevogt, P.; Goldbeck, W. G. J. Chem. Phys. 1997, 106, 4260.
19. Groot, R. D.; Warren, P. B. J. Chem. Phys. 1997, 107, 4423.
20. Groot, R. D.; Madden, T. J. J. Chem. Phys. 1998, 108, 8713.
21. Helfand, E.; Wasserman, Z. R. Macromolecules 1976, 9, 879.
22. Leibler, L. Macromolecules 1980, 13, 1602.
23. Melenkevitz, J.; Muthukumar, M. Macromolecules 1991, 24, 4199.
24. Matsen, M. W.; Schick, M. Phys. Rev. Lett. 1994, 72, 2660;
25. Macromolecules 1994, 27, 6761.
26. Matsen, M. W.; Bates, F. S. Macromolecules 1996, 29, 1091.
27. Jawalkar, S. S.; Adoor, S. G.; Sairam, M.; Mallikarjuna, N. N.; Aminabhavi, T. M. J. Phys. Chem. B. 2005, 109, 15611-15620.
28. Chuang, W. Y.; Young, T. H.; Yao, C. H.; Chiu, W. Y. Biomaterials 1999, 20, 1479-1487.
29. Yang, J. M.; Sua, W. Y.; Leu, T. L.; Yang, M. C. J. Membr. Sci. 2004, 236, 39.
30. Sandoval, C.; Castro, C.; Gargallo, L.; Radic, D.; Freire, J. Polymer 2005, 46, 10437.
31. Castro, C.; Gargallo, L.; Leiva, A.; Radic, D. J. Appl. Polym. Sci. 2005, 97, 1953.
32. Adoor, S. G.; Manjeshwar, L. S. Krishna Rao, K. S. V.; Naidu, B. V. K.; Aminabhavi, T. M. J. Appl. Polym. Sci. 2006, 100, 2415-2421.
33. Rigby, D.; Sun, H.; Eichinger, B. E. Polym. Int. 1997, 44, 311.
34. Greengard, L.; Rokhlin, V. I. J. Comput. Phys. 1987, 73, 325.
35. Schmidt, K. E.; Lee, M. A. J. Stat. Phys. 1991, 63, 1223.
36. Ding, H. Q.; Karasawa, N.; Goddard, W. A., III. J. Chem. Phys. 1992, 97, 4309.
37. Rappe, A. K.; Goddard, W. A. J. Phys. Chem. 1991, 95, 3358.
38. Ewald, P. P. Ann. Physik 1921, 64, 253.
39. Grulke, E. A. Solubility Parameter Values. In Polymer Handbook, 4th Ed.; Brandrup, J., Immergut, E. H., Eds.; Wiley: New York, 1999; pp 705.
40. Flory, P. J. Principles of Polymer Chemistry; Cornell University Press: Ithaca, New York, 1953.
41. Krause, S. Polymer-Polymer Compatibility in Polymer Blends; Paul, D. R., Newman, S., Eds; Academic Press: New York, 1978; Vol. 1.
42. Zhang, M.; Choi, P.; Sundararaj, U. Polymer 2003, 44, 1979.
43. Fan, C. F.; Cagin, T.; Chen, Z. M.; Smith, K. A. Macromolecules 1994, 27, 2383.
44. Aminabhavi, T. M.; Munk, P. Macromolecules 1979, 12, 607.
45. Flory, P. J. Statistical Mechanics of Chain Molecules; Hanser: Munich, Germany, 1989.
46. Groot, R. D.; Madden, T. J.; Tildesley, D. J. J. Chem. Phys. 1999, 110, 9739.
47. Ravindra, R. Kameshwara, R. K.; Khan, A. A. Carbohydr. Polym. 1998, 36, 121.