Modeling Highly Cross-Linked Epoxy Resins in Solvents of Different Polarities with PC-SAFT
نویسندگان
چکیده
منابع مشابه
Atomistic Modeling of Cross-linked Epoxy Polymer
Molecular Dynamics simulations are used to study cross-linking of an epoxy polymer. OPLS force field parameters are used for modeling a 2:1 stoichiometric mixture of epoxy resin and the cross-linking agent. The model has 17,928 united atoms and a static cross-linking method is used along with molecular minimization and molecular dynamics techniques to achieve two different cross-link densities....
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ژورنال
عنوان ژورنال: Industrial & Engineering Chemistry Research
سال: 2020
ISSN: 0888-5885,1520-5045
DOI: 10.1021/acs.iecr.9b06499