基于分子模拟的碳化硼-纤维素纤维复合材料结构及机械性能研究  

Study on structure and mechanical properties of boron carbide cellulose fiber composites based on molecular simulation

作　　者：徐之函 唐银 郝泽瑶[1] 韩凯丰 于乐 沙浩 XU Zhi-han;TANG Yin;HAO Ze-yao;HAN Kai-feng;YU Le;SHA Hao(College of Light Industry and Textile,Qiqihar University,Heilongjiang Qiqihar 161006,China;College of Chemistry and Chemical Engineering,Qiqihar University,Heilongjiang Qiqihar 161006,China;Engineering Research Center for Hemp and Product in Cold Region of Ministry of Education,Heilongjiang Qiqihar 161006,China)

机构地区：[1]齐齐哈尔大学轻工与纺织学院,黑龙江齐齐哈尔161006 [2]齐齐哈尔大学化学与化学工程学院,黑龙江齐齐哈尔161006 [3]寒区麻及其制品教育部工程研究中心,黑龙江齐齐哈尔161006

出　　处：《齐齐哈尔大学学报（自然科学版）》2024年第6期78-81,共4页Journal of Qiqihar University(Natural Science Edition)

基　　金：2024年黑龙江省大学生创新创业训练计划项目(S202410232053);黑龙江省省属本科高校基本科研业务费科研项目(145309509)。

摘　　要：利用分子模拟手段考察碳化硼与不同聚合度的纤维素纤维复合材料之间的相互作用,建立模型并对复合材料的机械性能进行对比。考察密度为1.5 g/cm^(3)不同长度比例的纤维素纤维对材料结合能、CED、压缩性能和杨氏模量的影响。结果表明,长短纤维的比例不同,对材料机械性能的贡献度无明显关联性。综合物理特性对材料机械性能的贡献度,长纤维的摩尔分数为0.4时更符合材料的应用特性。The interaction between boron carbide and cellulose fiber composites with different degrees of polymerization was investigated by molecular simulation.A model was established and the mechanical properties of the composites were compared.The effects of cellulose fibers with a density of 1.5 g/cm3 on binding energy,CED,compression properties and Young's modulus were investigated.The results show that the proportion of long and short fibers has no significant correlation to the mechanical properties of the materials.Considering the contribution of physical properties to the mechanical properties of the material,the molar fraction of the long fiber is 0.4,which is more consistent with the application characteristics of the material.

关 键 词：分子模拟 纤维素 碳化硼 

分 类 号：TB33[一般工业技术—材料科学与工程]