季铵盐双子表面活性剂自组装增黏机制研究

摘要

Experiments and coarse-grained molecular dynamics simulation ( CGMD) have been performed to study the mech-anism of wormlike micelles formation and solution viscosity increase caused by butane diyl-a,w-bis( dimethylcetylammonium bromide) ( referred to as 16-4-16 ) surfactant self-assembly. And the reverse non-equilibrium molecular dynamics ( RNEMD) was used to investigate the viscosity of the wormlike micelles. The experimental results illustrate that the gemini surfactant has good effect on the increase of solution viscosity, and with the increase of gemini surfactant concentration, mi-celle size increases gradually. It is also found that the gemini surfactant has the low potential mean force ( PMF) , and its self-assembly ability is very strong, which results in the wormlike micelles formation easily in gemini surfactant solution.%采用实验和粗粒化分子动力学(CGMD)模拟相结合的方法研究N, Nˊ-双(十六烷基二甲基)-1,2-二溴化丁二铵盐(16-4-16)自组装增黏机制；通过反向非平衡态分子动力学( RNEMD)模拟的方法研究蠕虫状胶束体系黏度。结果表明：双子表面活性剂具有较好的增黏效果,随着双子表面活性剂浓度增加,胶束尺寸逐渐增大；双子表面活性剂具有较低的胶束融合自由能,表现出更强的聚集能力,更容易聚集形成蠕虫状胶束。