摘要
本文采用基于Martini力场的粗粒化分子动力学模拟方法,对表面活性剂水溶液在Couette流动过程中的流变性进行研究。研究结果表明:剪切黏度随着表面活性剂浓度和摩尔比的增加而增加,随着温度和剪切速率的增加而减小;在大剪切率时,溶液中最长胶束的分子数目随温度和剪切速率的增加而减少,对应于剪切黏度的减小;最长胶束的分子数目大小在不同反离子盐溶液中顺序为:N_(CTAC/NamSal)>N_(CTAC/NaSal)>N_(CTAC/NaCl),对应溶液剪切黏度η_(CTAC/NaCl)<η_(CTAC/NaSal)<η_(CTAC/NamSal)。
The rheological behaviors in a binary system of cetyltrimethylammonium chloride(CTAC)and sodium salicylate(NaSal) under Couette flow were studied by molecular dynamics simulations using the coarse-grained MARTINI force field and explicit CG water solvent. The results show that, while the CTAC concentration and molar ratio increase, the shear viscosity increases;but the shear viscosity decreases with the temperature increasing. On condition of high shear rate condition,for the relationship between shear viscosity and the molecule number of the final longest micelle,the molecular number of the final longest micelle decreases with the temperature and shear rate increasing, corresponding to the decreasing of shear viscosity. The molecular number of the final longest micelle on the three binary systems(CTAC/NaCl, CTAC/NaSal, CTAC/NamSal) ranks as follows: NCTAC/NamSal> NCTAC/NaSal> NCTAC/NaCl, and the shear viscosity of the three systems can be ranked as ηCTAC/NaCl<ηCTAC/NaSal<ηCTAC/NamSal.
作者
刘飞
刘冬洁
周文静
陈飞
魏进家
LIU Fei;LIU Dong-Jie;ZHOU Wen-Jing;CHEN Fei;WEI Jin-Jia(State Key Laboratory of Multiphase Flow in Power Engineering,Xi’an Jiaotong University,Xi'an 710049,China;School of Chemical Engineering and Technology,Xi’an Jiaotong University,Xi'an 710049,China)
出处
《工程热物理学报》
EI
CAS
CSCD
北大核心
2019年第2期350-356,共7页
Journal of Engineering Thermophysics
基金
国家自然科学基金资助项目(No.51225601
No.51636006)
