Monte Carlo Simulation of Acrylonitrile Solution Polymerization Initiated by Y(OAr)3

Abstract

Abstract: The acrylonitrile solution polymerization was discussed based on experiments and Monte Carlo simulation.The simulation results indicated that anionic active species also present in the system.The polymerization is a rapid initiation,and fast deactivation process,and in the polymerization system there are two chain transfer reactions to monomer and to macromolecules respectively.A set of polymerization reaction rate constants was obtained: k_i=(0.053) L/(mol·min),k_p=1.63 L/(mol·min),k_d=0.005 8 min^-1,k_trm=(0.052 L/(mol·min)),k_trp=0.075 L/(mol·min),k_pp=0 L/(mol·min).

Key words: Monte Carlo simulation, Acrylonitrile, Y(OAr)₃, Solution polymerization

CLC Number:

O631

TrendMD:

ZHENG Hao, LING Jun, SHEN Zhi-Quan . Monte Carlo Simulation of Acrylonitrile Solution Polymerization Initiated by Y(OAr)₃[J]. Chem. J. Chinese Universities, 2005, 26(10): 1938.

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Monte Carlo Simulation of Acrylonitrile Solution Polymerization Initiated by Y(OAr)₃

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