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Markovian Approach to Self‐Condensing Vinyl Polymerization: Distributions of Molecular Weights, Degrees of Branching, and Molecular Dimensions
Author(s) -
Tobita Hidetaka
Publication year - 2015
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201400071
Subject(s) - branching (polymer chemistry) , polymerization , polymer , degree of polymerization , monte carlo method , polymer chemistry , molar mass distribution , statistical physics , thermodynamics , chemistry , materials science , mathematics , physics , organic chemistry , statistics
A Markovian model is proposed to investigate the complex molecular buildup processes during the self‐condensing vinyl polymerization. The weight‐average chain length is represented by the analytic formula,P ¯ w = 1 + w FI − M− 1 s . By application of the Markovian model to the Monte Carlo method, one can investigate the structure of the polymer formed one by one, and the full distributions of chain lengths, degrees of branching, and molecular dimensions are investigated. When the polymer molecules are fractionated by the chain length, the universal curves for the degree of branching, and the molecular dimension, which do not change during the course of polymerization were discovered.