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The thermosetting resin prepared by curing reaction of typical soybean oil and properties of the product network structures: a multiscale simulation study.

Authors :
Liu, Bin
Liu, Dong
Xue, Yao-Hong
Liu, Hong
Source :
Molecular Simulation; Mar2014, Vol. 40 Issue 4, p285-294, 10p
Publication Year :
2014

Abstract

With our multiscale simulation strategy developed previously, we study the curing reaction of soybean oil and styrene to prepare a thermosetting resin. From atomistic simulation details, we estimate the parameters used in coarse-grained (CG) simulations. Then, with the mesoscopic dissipative particle dynamics simulation, the CG network structure and average cross-linking density of a material can be obtained. Finally, the reverse-mapping scheme of the CG structure to atomistic representation is carried out to analyse the mechanical properties and the glass transition temperature of the system. We find in such a system that the molar ratio of double bonds in the two reactants plays a significant role in determining the physical properties of a product. These results shed light on improved control and design of thermosetting resin material via curing reaction of soybean oil. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
08927022
Volume :
40
Issue :
4
Database :
Complementary Index
Journal :
Molecular Simulation
Publication Type :
Academic Journal
Accession number :
93469484
Full Text :
https://doi.org/10.1080/08927022.2013.803102