日本複合材料学会誌
Online ISSN : 1884-8559
Print ISSN : 0385-2563
ISSN-L : 0385-2563
研究論文
全原子分子動力学法を活用した熱硬化性樹脂の分子構造と粘度変化との関係の評価
内藤 悠太西川 雅章大矢 豊大岡部 朋永松田 直樹北條 正樹
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2021 年 47 巻 3 号 p. 97-108

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In thermoset-based carbon-fiber-reinforced plastics, the viscosity of the matrix resin governs their formability. The present study analyzes the relationship between the molecular structure and viscosity of the thermoset resin during curing by employing two types of all-atom molecular dynamics (MD) simulations. One is a crosslinking simulation that considers the reaction dynamics for determining the resultant curing structures. The other is a non-equilibrium MD simulation utilizing the Lees–Edwards boundary condition for viscosity evaluation. The results of this study clarified that the viscosity of the thermoset resin is changed by its composition, and can be described by the Doolittle equation, which presents the relationship with the free volume ratio. Furthermore, the increasing rate of viscosity during curing can be correlated with the increasing weight-averaged molecular weight.

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