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Hyperbranched Polymers Formed Through Self‐Condensing Vinyl Polymerization in a Continuous Stirred‐Tank Reactor (CSTR): 1. Molecular Weight Distribution
Author(s) -
Tobita Hidetaka
Publication year - 2018
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.201800027
Subject(s) - continuous stirred tank reactor , exponent , molar mass distribution , polymer , thermodynamics , polymerization , polymer chemistry , monte carlo method , chemistry , materials science , physics , mathematics , organic chemistry , statistics , philosophy , linguistics
A new Monte Carlo simulation algorithm, based on the random sampling technique, is proposed for the self‐condensing vinyl polymerization conducted in a continuous stirred‐tank reactor. In order to highlight the most fundamental aspects of the reaction system, the kinetic rate constants are assumed to be constant, and the size and structure dependence is neglected. With this ideal model, the high molecular weight (MW) tail of the weight fraction distribution W ( P ) is shown to follow the power law, W ( P ) ∝ P −α . The power exponent is represented by α = 1/( ηξ ) for ξ < 1/(2η), where ξ and η are defined in the text. For ξ ≥ 1/(2η), the weight‐average MW cannot reach the steady state because of the power exponent with α ≤ 2.