Computer-Modeling of Polymers

The voluminous experimental information about the linkage between structural variables and properties of polymers is assembled in books, notably that by van Krevelen (1990). In effect, such books encapsulate much empirical knowledge on how to formulate polymers for specific applications (Uhlherr and Theodorou 1998). What polymer modellers and simulators strive to achieve is to establish more rigorous links between structural variables and properties, to foster more rational design of polymers in future. 

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Computational Modeling of Polymers J. Bicerano, Ed., Dekker, new York (1992). Computer Simulation of Polymers E. A. Coulbourne, Ed., Longman-Harlow, London (1992). 

K. Binder. Monte Carlo and molecular dynamics simulations of amorphous polymers. In J. Bicerano, ed. Computational Modeling of Polymers. New York Marcel Dekker, 1992, pp. 221-295. 

Binder K (1992) In Bicerano J (ed) Computational modeling of polymers. Marcel Dekker, New York, p 221... 

Computational Modeling of Polymers Bicerano, J., Ed. Marcel Dekker New York, 1992. 

Computational Modeling of Polymers, edited by Jozef Bicerano... 

Tozef Bicerano, Computational Modeling of Polymers, in Plast. Eng. (N.Y.), Vol. 25, Dekker, New York, 1992. 

Van Krevelen DW, "Group Contribution Techniques for Correlating Polymer Properties with Chemical Structure", In Bicerano J (Ed), "Computational Modelling of Polymers", Marcel Dekker, New York, 1992, Chap. 1. Van Krevelen DW and Hoftyzer PJ, J Appl Polym Sci 10 (1966) 1331 11 (1967) 1409 11(1967) 2189. 

Handbook of Polymer Synthesis. Parts A and B. edited by Hans R. Kricheldorf 25 Computational Modeling of Polymers, edited by Jozef Brcerano... 

Robertson, R. E., Free-voliune theory and its apphcation to polymer relaxation in the glassy state, in Computational Modeling of Polymers, Bicerano J.Ed., Marcel Dekker, New York, 297-361 (1992). 

Ludovice, P. J. and Suter, U. W. (1992) Detailed molecular structure of a polar vinyl polymer glass, in Computational Modeling of Polymers, edited by Bicerano, J., New York Marcel Dekker, pp. 401-435. 

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