摘要
为研究聚合物表面活性剂（聚表剂）分子结构变化对聚表剂和油-水界面性质的影响,优选出最佳性能的聚表剂。以正十六烷基为油相,水为水相,采用耗散颗粒动力学方法（DPD）模拟含有不同可聚合季铵盐表面活性基团的聚表剂在油-水界面的性质,研究了聚表剂摩尔分数及季铵盐基团种类等因素对油-水界面性质的影响。模拟结果表明,模拟体系中聚表剂摩尔分数范围以0.02-0.06为宜;通过模拟优选出最佳季铵盐单体为对甲基苯乙烯基十二烷基二甲基溴化铵（R4）,聚表剂AMR4在油水体系中最佳摩尔分数为0.06,此时界面张力值最低、界面效率最佳且聚表剂分子均方根末端距最大。聚表剂分子几乎全都分布在油-水界面层,其界面活性使得油-水界面厚度增大,油-水界面张力降低。
To study influences of oil-water interfacial properties which were caused by different molecular structures of surface active polymer and optimize the best performance of surface active polymer,the influences of molar fraction of surface active polymer and various types of polymerizable quaternary ammonium salt groups were investigated by dissipative particle dynamics（ DPD） simulation by taking hexadecyl as oil phase and water as water phase. The results of simulation prove that the advisable molar fraction range of surface active polymer in the simulation system is 0. 02 - 0. 06; the optimum quaternary ammonium salt monomer is P-methyl styryl dodecyl dimethyl ammonium bromide（ R4）,the optimum molar fraction in the simulation system of surface active polymer AMR4 is 0. 06,which has the lowest interfacial tension,the best interfacial efficiency and the largest root-mean-square end-to-end distance. The surface active polymer moleculars almost are distributed in oil-water interface layer,which enlarge the thickness and decrease the interfacial tension of oil-water interfacial.
出处
《高分子材料科学与工程》
EI
CAS
CSCD
北大核心
2016年第1期125-130,共6页
Polymer Materials Science & Engineering
基金
国家国际科技合作专项(2015DFR60530)
江苏高校优势学科建设工程资助项目
关键词
耗散颗粒动力学方法模拟
聚表剂
可聚合季铵盐
界面张力
dissipative particle dynamics simulation
surface active polymer
polymerizable quaternary ammonium salt
interfacial tension
作者简介
通讯联系人：姚晓，主要从事油田化学材料研究，E-mail：yaoxiao@njtech．edu．cn
