Self-condensing vinyl polymerization in the presence of multifunctional initiator with unequal rate constants: Monte Carlo simulation

Monte Carlo method was applied to simulate self-condensing vinyl polymerization (SCVP) in the presence of multifunctional initiator with unequal reactive rate constants. Simulations showed that, with the increase of reactivity of multifunctional initiator, the molecular weight distribution decreases...

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Bibliographic Details
Published in:Polymer (Guilford) 2003-10, Vol.44 (21), p.6697-6706
Main Authors: He, Xuehao, Liang, Haojun, Pan, Caiyuan
Format: Article
Language:English
Subjects:
Applied sciences
Exact sciences and technology
Monte Carlo simulation
Multifunctional initiator
Organic polymers
Physicochemistry of polymers
Polymerization
Preparation, kinetics, thermodynamics, mechanism and catalysts
SCVP
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Summary:Monte Carlo method was applied to simulate self-condensing vinyl polymerization (SCVP) in the presence of multifunctional initiator with unequal reactive rate constants. Simulations showed that, with the increase of reactivity of multifunctional initiator, the molecular weight distribution decreases, the fraction of multi-armed hyperbranched polymers increases, and the best reactivity ratio of multifunctional initiator to inimor is 10/1; the reactivity difference of two active sites in inimer has strong effects on the molecular weight distribution and degree of branching. The branch degree and fraction of branch-points depend on both the conversion of double bonds and reactivity difference of two active centers in inimer, and have no relation with the adding of multifunctional initiator. The density distribution of degree of branching further shows common self-similarity in SCVP.
ISSN:0032-3861
1873-2291
DOI:10.1016/j.polymer.2003.08.013