| Monte Carlo Applications in Polymer Science Contributor(s): Bruns, W. (Author), Motoc, I. (Author), O'Driscoll, K. F. (Author) |
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ISBN: 3540111654 ISBN-13: 9783540111658 Publisher: Springer OUR PRICE: $52.24 Product Type: Paperback Published: December 1981 |
| Additional Information |
| BISAC Categories: - Science | Chemistry - Physical & Theoretical - Technology & Engineering | Materials Science - General - Technology & Engineering | Textiles & Polymers |
| Dewey: 547.7 |
| Series: Lecture Notes in Chemistry |
| Physical Information: 0.42" H x 6.69" W x 9.61" (0.71 lbs) 179 pages |
| Descriptions, Reviews, Etc. |
| Publisher Description: The aim of this chapter is to discuss in detail the Monte Carlo algorithms developed to compute the sequence distributions in polymers. Because stereoregular polymers constitute a unique form of copolymer, the stereosequence distributions in vinyl homopolymers and the sequence distributions in copolymers can be computed using the same algorithms. Also included is a brief review of probabilistic models (i. e., Bernoulli trials and Markov chains) frequently used to compute the sequence distribtuion. The determination of sequence distributions is important for the under- standing of polymer physical properties, to compute the monomer reactivity para- meters and to discriminate among polymerization mechanisms. 2. 2. Short review of analytical models, Monte Carlo algorithms and computer programs. l A Bernoullian model was developed by Price. Within this model the probability of a given state of the system is independent of the previous state and does not condition the next state. The Bernoullian behaviour has been shown 24 to describe cls-trans distributions among 1, 4 additions in polybutadienes -, 5 the comonomer distribution in ethylene-vinyl acetate copolymer, and configura- 6 tional distributions in polystyrene, poly (vinyl chloride)7, poly (vinyl alcohol)7 Consider the binary copolymerization: 1, J=1,2 (1) where - MI*, I = 1,2, is an ionic or radical polymeric chain end, and M, J = 1,2, J is a monomer. Because the final state (i. e. |
