FENE珠-簧链聚合物分子模型流变性质Brown动力学模拟  

Brownian Dynamics Simulation of FENE Bead-Spring Chain Model Polymer Rheological Properties

作　　者：闵志宇[1] 曹伟[1] 申长雨[1] 张春杰[1] 

机构地区：[1]郑州大学橡塑模具国家工程研究中心,河南郑州450002

出　　处：《高分子材料科学与工程》2009年第2期171-174,共4页Polymer Materials Science & Engineering

基　　金：国家自然科学基金重大项目(10590350)

摘　　要：通过布朗(Brown)动力学方法模拟了有限伸展非线性弹性(FENE)珠-簧链分子模型在稳态简单剪切流场和突始剪切流场中的运动,得到分子链的位形变化轨迹,同时对聚合物分子力场进行计算分析,模拟流变性质,研究温度、弹簧参数和剪切速率等对该模型定常与非定常流变性质的影响。结果表明,随温度升高,聚合物黏度下降,随剪切速率的升高伴随有假塑性剪切变稀现象发生,并且弹簧拉伸常数不同,聚合物黏度稳态值也不同。Finitely extensible nonlinear elastic （FENE） bead-spring chain model for dilute solutions of polymer molecules in a Newtonian solvent is employed to describe the bead-bead interaction within a molecule. Brownian dynamics simulation is used to capture the steady-state and transient theological behavior of Finitely Extensible Nonlinear Elastic bead-spring chain models in shear flow. The simulations include examination of the effects of viscosity dependent temperature, spring parameter, and shear rate. The results of simulation predict show that the shear viscosity value increases with the temperature increasing, and the model displays shear-thinning. Moreover, a large difference on the theological response for different finite extensibility

关 键 词：Brown动力学 FENE珠-簧链模型 流变性 剪切变稀 

分 类 号：O631.21[理学—高分子化学]