Can Flory-Stockmayer theory be applied to predict conventional free radical polymerization of multivinyl monomers? A study via Monte Carlo simulations
作者： Jing Lyu , Yongsheng Gao , Zidan Zhang , Udo Greiser , Hongyun Tai
DOI: 10.1007/S11426-017-9146-6
关键词: Monomer 、 Thermodynamics 、 Flory-Stockmayer Theory 、 Polymerization 、 Kinetic energy 、 Monte Carlo method 、 Intramolecular cyclization 、 Gel point 、 Radical polymerization 、 Materials science 、 General chemistry
摘要: The conventional free radical polymerization (FRP) of multivinyl monomers (MVMs) inevitably leads to gelation even at low monomer conversion resulting in difficulties control and monitor the reaction process. Flory Stockmayer (F-S theory) studied it based on two fundamental assumptions: (1) independent equivalent vinyl groups; (2) no intramolecular cyclization. However, until now its applicability FRP MVMs (especially regarding extent cyclization) is still controversial. In this paper, Monte Carlo simulations are used study divinyl by kinetic models: with/without cyclization models. results compared with calculated gel points F-S theory experimental data. It found that has a negligible impact process point before gelation, which agreement prediction theory, but effect becomes significant above points.
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