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Simulation of Particle Growth in the Dispersion Polymerization of Styrene: The Termination Rate Constant in Particles
Author(s) -
Yasuda Masahiro,
Yokoyama Hideki,
Seki Hidetoshi,
Ogino Hiroyasu,
Ishimi Kosaku,
Ishikawa Haruo
Publication year - 2001
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 - 10.1002/1521-3919(20010101)10:1<54::aid-mats54>3.0.co;2-l
Subject(s) - dispersion (optics) , particle (ecology) , styrene , polymerization , reaction rate constant , particle size , phase (matter) , chemistry , radical , constant (computer programming) , dispersion polymerization , chain termination , volume (thermodynamics) , particle number , monomer , thermodynamics , polymer chemistry , materials science , radical polymerization , kinetics , copolymer , organic chemistry , polymer , physics , optics , classical mechanics , programming language , geology , oceanography , computer science
A model is proposed for simulating the particle growth in the dispersion polymerization of styrene in ethanol. The model is based on the following assumptions: (i) the termination reaction in an ethanol‐phase and the chain‐transfer reactions in the ethanol‐phase and particles can be neglected, (ii) the mean volume of the radicals captured by particles is approximately equivalent to that of monomeric radicals, and (iii) the termination rate constant in particles is β gel times that of the ethanol‐phase. The experimental results of the conversion, the particle diameter and the particle number measured at the reaction time of 2 h were used to determine the initial conditions. When the termination rate constant in particles was taken to be about 1/130 of that of the ethanol phase, the calculation results of the conversion and the particle diameter were in good agreement with the experimental data.