纤维素/聚醚砜共混物激光烧结弹性性能的分子动力学模拟  

Molecular dynamics simulation of elastic properties for laser sintering cellulose/polyether sulfone blends

作　　者：王璞璇 郭艳玲[1] 赵德金[1] 于志祥[2] 

机构地区：[1]东北林业大学机电工程学院,哈尔滨150040 [2]哈尔滨理工大学工程训练中心,哈尔滨150040

出　　处：《复合材料学报》2016年第3期580-588,共9页Acta Materiae Compositae Sinica

基　　金：国家自然科学基金(51075067);2013年度高等学校博士学科点专项科研基金(2013006211006)

摘　　要：为提高选择性激光烧结（SLS）木塑复合粉末的成形件的力学强度,设计出可用于该项技术木塑复合粉末的新配方,制备了纤维素/聚醚砜（PES）和纤维素/聚丙烯（PP）2种木塑复合粉末。利用分子力学和分子动力学模拟方法对纤维素/PES和纤维素/PP共混物进行共混计算,求得了纤维素分别与PES、PP的结合能分布曲线。通过建立不同质量比的纤维素/PES共混物分子模型,计算其Flory-Huggins相互作用参数和静态弹性性能,得到了纤维素含量对共混物弹性性能的影响;为验证模拟结果进行了纤维素/PES和纤维素/PP共混物的激光烧结实验。结果表明：相比较纤维素/PP复合粉末,纤维素与PES相容性更好,适用于选择性激光烧结技术;当纤维素加入质量分数为20%~25%时,材料的相容性达到最佳状态;所构建的纤维素/PES共混物模型可用于预测成形材料的弹性性能。In order to improve the mechanical strength of prototypes fabricated from wood-plastic composite powders by selective laser sintering（SLS）and to design the new composite powders formula applicable to SLS technology,two kinds of wood-plastic composite powders of cellulose/polyether sulfone（PES）and cellulose/polypropylene（PP）were prepared.The systems of cellulose/PES and cellulose/PP blends were blending computed by using the methods of molecular mechanics and molecular dynamics simulation methods.The binding energy distribution curves of cellulose with PES and PP were obtained respectively.By establishing molecular models of cellulose/PES blends with different mass ratios,the Flory-Huggins interaction parameter and static elastic mechanical properties of the models were calculated,and the effect of content of cellulose on the elastic properties of the blends was analyzed.Laser sintering experiments of cellulose/PES and cellulose/PP blends were carried out for verifying the simulation conclusions.The results show that compared with cellulose/PP composite powders,cellulose has the better compatibility with PES,which is suitable for SLS technology.With the addition of 20%to 25% mass fraction of cellulose,the compatibility of the material is at the best condition.The established blend model of cellulose/PES can be used to predict the elastic properties of the fabricated material.

关 键 词：选择性激光烧结 分子动力学模拟 纤维素 相容性 弹性性能 

分 类 号：TB324[一般工业技术—材料科学与工程]