界面活性剂溶液内部结构和流变特性模拟

对在稳态剪切流下的一种稀疏界面活性剂溶液进行了布朗动力学数值模拟.棒状的界面活性剂胶束粒子被假定为由圆球线性连接而构成的刚性棒.本文引进了一种新的势作用模型来描述胶束粒子间的相互作用,利用Lennard-Jones势函数来描述棒端部球之间的相互作用,而采用软球势函数来描述棒内部球之间的相互作用.在低剪切率条件下,胶束粒子在端部相互连接而形成网状结构.随着剪切增大,网状构造遭到破坏,胶束粒子趋向与剪切流方向平行.这种溶液微结构随剪切率变化关系导致了溶液剪切粘度和第一正应力差系数的剪切稀化现象.此外,还考察了溶液浓度对剪切粘度和第一正应力差系数的影响.结果表明,剪切粘度和第一正应力差系数均随溶液粘度的增加而增加.

SIMULATION OF MICROSTRUCTURE AND RHEOGICAL PROPERTIES OF SURFACTANT SOLUTION

The Brownian dynamics (BD) simulation of a dilute surfactant solution is conducted in a steady shear flow. The rodlike micelle is assumed as a rigid rod composed of lined-up beads. A novel intercluster potential model is introduced for describing the interactions between micelles. In the model, the Lennard-Jones and the soft-sphere potentials are used as inter-bead potentials for end-end and interior-interior beads, respectively. The micelles are combined at their ends to form a network structure at lower shear rates and are disconnected to become more and more parallel to the shear flow direction with increasing shear rate. The change of micellar microstructures with the variation of the shear rate results in shear thinning characteristics of the computed shear viscosities and first normal stress difference coefficients. The effects of surfactant solution concentration on the micellar structures and rheological properties are also investigated. Results show that the shear viscosities and the first normal stress difference coefficients increase with increasing the viscosity of the surfactant solution.