Brownian dynamics simulation of diffusion-limited polymerization of rodlike molecules: Isotropic translational diffusion

Journal of Chemical Physics

Volumn 107, Issue 8, 1997, Pages 3289-3294

  Srinivasalu Gupta, J ^a   Khakhar, D V ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CONDENSATION; DIFFUSION; INTEGRATION; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; ORGANIC POLYMERS; POLYMERIZATION; REACTION KINETICS;

BROWNIAN DYNAMICS SIMULATION; DIFFUSION LIMITED POLYMERIZATION; ISOTROPIC TRANSLATIONAL DIFFUSION; RODLIKE MOLECULES;

BROWNIAN MOVEMENT;

EID: 0031207063     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474679     Document Type: Article

References (33)

1. L. Vollbracht, in Comprehensive Polymer Science, edited by G. Allen, and J. C. Bevington, Vol. 5 (Pergamon, Oxford, 1989), pp. 375-386.
2. S. L. Kwolek, P. W. Morgan, and J. R. Schaefgen, in Encyclopedia of Polymer Science and Technology, edited by H. F. Mark, N. M. Bikales, C. G. Overberger, and G. Menges (Wiley, New York, 1987), Vol. 9, pp. 1-61.
3. M. Doi and S. F. Edwards, The Theory of Polymer Dynamics (Clarendon, Oxford, 1986), pp. 324-349.
4. U. S. Agarwal and D. V. Khakhar, J. Chem. Phys. 96, 7125 (1992).
5. U. S. Agarwal and D. V. Khakhar, J. Chem. Phys. 99, 1382 (1993).
6. D. B. Cotts and G. C. Berry, Macromolecules 14, 930 (1981).
7. B. Jingsheng, Y. Anji, Z. Shengqing, Z. Shufan, and H. Chang, J. Appl. Polym. Sci. 26, 1211 (1981).
8. U. S. Agarwal and D. V. Khakhar, Nature 360, 53 (1992).
9. U. S. Agarwal and D. V. Khakhar, Macromolecules 26, 3960 (1993).
10. M. V. Smoluchowski, Z. Phys. Chem. 92, 129 (1917).
11. S. A. Rice, in Diffusion Controlled Reactions, edited by C. H. Bamford, C. F. H. Tipper, and R. G. Compton, Vol. 25 (Elsevier, Amsterdam, 1985), pp. 3-45.
12. Y. T. Wu and J. M. Nitsche, Chem. Eng. 50, 1467 (1995).
13. A. Szabo, D. Shoup, S. H. Northrup, and J. A. McCammon, J. Chem. Phys. 77, 4484 (1982).
14. M. Baldo, A. Grassi, and A. Raudino, J. Chem. Phys. 91, 4658 (1989).
15. M. Baldo, A. Grassi, and A. Raudino, Phys. Rev. 39, 3700 (1989).
16. M. Baldo, A. Grassi, and A. Raudino, Phys. Rev. 40, 1017 (1989).
17. U. S. Agarwal and D. V. Khakhar, J. Chem. Phys. 99, 3067 (1993).
18. S. H. Northrup, S. A. Allison, and J. A. McCammon, J. Chem. Phys. 80, 1517 (1984).
19. G. Lamm, J. Chem. Phys. 80, 2845 (1984).
20. S. A. Allison, G. Ganti, and J. A. McCammon, Biopolymers 24, 1323 (1985).
21. S. A. Allison, S. H. Northrup, and J. A. McCammon, J. Chem. Phys. 83, 2894 (1985).
22. S. A. Allison, J. A. McCammon, and J. J. Sines, J. Phys. Chem. 94, 7133 (1990).
23. S. H. Northrup, K. A. Thomasson, C. M. Miller, P. D. Barker, L. D. Eltis, J. G. Guillemette, S. C. Inglis, and A. G. Mauk, Biochemistry 32, 6613 (1993).
24. R. G. Herbert and S. H. Northrup, J. Mol. Liq. 41, 207 (1989).
25. L. D. Eltis, R. G. Herbert, P. D. Barker, A. G. Mauk, and S. H. Northrup, Biochemistry 30, 3663 (1991).
26. S. M. Andrew, K. A. Thomasson, and S. H. Northrup, J. Am. Chem. Soc. 115, 5516 (1993).
27. J. A. McCammon and S. H. Northrup, Nature 293, 316 (1981).
28. J. Srinivasalu Gupta, "Diffusion controlled polymerization of rigid rod-like molecules," Ph.D. thesis (in preparation) Indian Institute of Technology - Bombay.
29. J. Garcia de la Torre and V. A. Bloomfield, Q. Rev. Biophys. 14, 81 (1981).
30. K. S. Schmitz and J. M. Schurr, J. Phys. Chem. 76, 534 (1972).
31. D. L. Ermak and J. A. McCammon, J. Chem. Phys. 69, 1352 (1978).
32. G. Lamm and K. Schulten, J. Chem. Phys. 78, 2713 (1983).
33. J. Srinivasalu Gupta and D. V. Khakhar (unpublished).