进行了稳定剪切流下稀疏表面活性剂溶液的三维布朗动力学数值模拟。将溶液内部胶束粒子假设为由球体依次线性联结所构成,分别用Lennard—Jones势和软球势来描述不同粒子端部球和内部球相互之间的作用。采用Verlet速度算法进行模拟,得到了不同剪切率下胶束结构和流变特性。在低剪切率下可得到表面活性剂溶液内部的网状胶束结构,该结构在高剪切率下遭到破坏。剪切粘度和第一正应力系数呈剪切稀化特征。揭示了溶液内部结构和流变特性的关系。
Brownian dynamics simulation of dilute surfactant solution was performed under steady shear flow. A micelle in the solution was modeled as a rod consisting of some beads which are connected linearly, and Lennard-Jones potential and soft-sphere potential were used as the inter-beads interaction for end-end beads and interior-interior beads respectively. Verlet algorithm was used in the simulation. Micellar structures and rheological characteristics of surfactant solution at different shear rates were obtained. Micellar network could be formed at low shear rates, but was destroyed at high shear rates. Shear viscosities and first normal stress coefficients showed shear thinning characteristics. The relationship between the surfactant microstructure and rheological characteristics was revealed.