کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5209275 1503050 2017 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Mechanism of modulus improvement for epoxy resin matrices: A molecular dynamics simulation
ترجمه فارسی عنوان
مکانیسم بهبود مدول برای ماتریسهای رزین اپوکسی: شبیه سازی دینامیک مولکولی
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
چکیده انگلیسی

Theoretical modulus of three kinds of epoxy matrices, including diethylene toluene diamine (DETDA)/4,5-epoxyclyclohexyl-1,2-diglycidyldiformate(TDE85), m-phenylenediamine (MPD)/TDE85 and single-walled carbon nanotube (SWCNT) reinforced DETDA/TDE85 were investigated via molecular dynamics (MD) simulation to establish the structure-property relationships. The flexibility and mobility of molecular chains, the packing ability of cross-linked chain segment, the fraction of free volume of epoxy resins and the cohesive energy density in different epoxy systems were analyzed in detail, respectively. The MD simulation results showed that both the slight modification in the diamine structure and the introduction of SWCNTs can result in significant changes in the microstructure parameters of epoxy matrix, however, the modulus improvement mechanisms through changing curing agents and incorporating SWCNT into epoxy matrix had similarities and differences. The MD simulation method will be of great value in predicting and analyzing some performance closely related to the microstructure parameters for the different cross-linked resin system and its composite materials.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Reactive and Functional Polymers - Volume 111, February 2017, Pages 60-67
نویسندگان
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