The thermosetting resin prepared by curing reaction of typical soybean oil and properties of the product network structures: a multiscale simulation study
作者： Bin Liu , Dong Liu , Yao-Hong Xue , Hong Liu
DOI: 10.1080/08927022.2013.803102
关键词: Thermosetting polymer 、 Curing (chemistry) 、 Styrene 、 Mesoscopic physics 、 Composite material 、 Materials science 、 Polymer chemistry 、 Double bond 、 Dissipative particle dynamics 、 Glass transition 、 Soybean oil
摘要: With our multiscale simulation strategy developed previously, we study the curing reaction of soybean oil and styrene to prepare a thermosetting resin. From atomistic details, estimate parameters used in coarse-grained (CG) simulations. Then, with mesoscopic dissipative particle dynamics simulation, CG network structure average cross-linking density material can be obtained. Finally, reverse-mapping scheme representation is carried out analyse mechanical properties glass transition temperature system. We find such system that molar ratio double bonds two reactants plays significant role determining physical product. These results shed light on improved control design resin via oil.
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