Monte Carlo simulation of sequence distributions of acrylonitrile copolymers

A Monte Carlo simulation examining the effect of monomer ratios on the composition and sequence distribution of acrylonitrile(AN) copolymers with N‐vinyl pyrrolidone (NVP), itaconic acid (IA), and acrylic acid (AA) as comonomers has been developed. The Kelen–Tudos method was used to estimate monomer...

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Bibliographic Details
Published in:Journal of applied polymer science 2005-04, Vol.96 (2), p.483-488
Main Authors: Hou, Chen, Sun, Chun-feng, Ying, Liang, Wang, Cheng-guo
Format: Article
Language:English
Subjects:
Applied sciences
Copolymerization
Exact sciences and technology
fibers
Monte Carlo simulation
Organic polymers
Physicochemistry of polymers
Preparation, kinetics, thermodynamics, mechanism and catalysts
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Summary:A Monte Carlo simulation examining the effect of monomer ratios on the composition and sequence distribution of acrylonitrile(AN) copolymers with N‐vinyl pyrrolidone (NVP), itaconic acid (IA), and acrylic acid (AA) as comonomers has been developed. The Kelen–Tudos method was used to estimate monomer reactivity ratios. The results of the simulation are consistent with the academic conclusion and are as foreseen by the experimental data. The average number of NVP identical monomers in a sequence length of AN/NVP copolymer chain increases continuously and the average number of AN identical monomers in a sequence length shows a prominent decrease with an increase of NVP concentration in the feed. Changes in the monomer average number of AN/IA and AN/AA copolymers in a sequence length were the same as those of AN/NVP copolymer with an increase of comonomer concentration in the feed. The optimum weight ratio of AN with comonomers for manufacturing carbon fibers is 98/2. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 96: 483–488, 2005
ISSN:0021-8995
1097-4628
1097-4682
DOI:10.1002/app.21457