| 环氧树脂结构建模及玻璃化转变温度模拟计算 |
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| 引用本文： | 杜灵根,焦丕玉,王晓梅. 环氧树脂结构建模及玻璃化转变温度模拟计算[J]. 绝缘材料, 2012, 0(2): 44-47 |
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| 作者姓名： | 杜灵根 焦丕玉 王晓梅 |
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| 作者单位： | 1. 中船重工第七一二研究所,武汉 430064
2. 湖北长海新能源科技有限公司,湖北 鄂州 436070 |
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| 摘 要： | 基于COMPASS分子力场,利用分子动力学模拟方法和Materials Studio软件建立了低固化度交联耦合的双酚A型环氧树脂交联结构模型,并利用环氧树脂交联体系模型模拟计算了交联环氧树脂的玻璃化转变温度。结果表明:计算得到的玻璃化转变温度与实验数据吻合较好,表明分子模拟方法可以应用于复杂聚合物体系结构与性质的研究中。
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| 关 键 词： | 分子动力学方法 环氧树脂交联结构 分子模拟 玻璃化转变温度 |
Structural Modeling of Epoxy Resin and Simulation Calculation of Glass Transition Temperature |
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| Du Linggen,Jiao Piyu,Wang Xiaomei. Structural Modeling of Epoxy Resin and Simulation Calculation of Glass Transition Temperature[J]. Insulating Materials, 2012, 0(2): 44-47 |
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| Authors: | Du Linggen Jiao Piyu Wang Xiaomei |
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| Affiliation: | 1,2(1.712th Research Institute,CSIC,Wuhan 430064,China;2.Hubei Greatsea New Power Technology Co.,Ltd,e’zhou 436070,China) |
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| Abstract: | Based on COMPASS molecular field,a bisphenol-A epoxy resin cross-linking structure model with low degree of curing was built using molecular dynamic simulation method(MD) and Materials Studio software.And the glass transition temperature(Tg) of the cross-linking epoxy resin was calculated by simulating the cross-linking epoxy resin model.The results show that the calculated glass transition temperature coincides with the experimental result,which indicates that the molecular simulation method can be used to study the structure and properties of complex polymer. |
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| Keywords: | molecular dynamic method epoxy resin cross-linking structure molecular simulation glass transition temperature |
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