Incorporating Chemical Reactions in Dissipative Particle Dynamics Simulations

AbstractWe introduce a reaction model combining with dissipative particle dynamics to study the chemical reactions in polymer systems at mesoscopic level. In this model, we employ an idea of reaction probability to control the whole process of chemical reactions. We apply this model on the study of surface initiated polymerization and the network structure of typical epoxy resin systems. This method can be further modified to study different kinds of chemical reactions at mesoscopic scale