流体混合物纳米管膜体系传递的分子动力学模拟  

Molecular Dynamics Simulations of the Transport of Fluid Mixture in the Nanotube Membrane System

作　　者：李跨越 李保芝 张慧敏 张俊德 李亮 冯剑[1] Li Kuayue;Li Baozhi;Zhang Huimin;Zhang Junde;Li Liang;Feng Jian(School of Material Science and Chemical Engineering,Chuzhou University,Chuzhou 239000,China)

机构地区：[1]滁州学院材料与化学工程学院,安徽滁州239000

出　　处：《山东化工》2021年第15期16-19,共4页Shandong Chemical Industry

基　　金：省级大学生创新训练项目(S202010377113)。

摘　　要：本文使用分子动力学模拟研究了三种不同尺寸粒子的二元混合流体在三种管径纳米管膜体系中的传递现象。研究表明纳米管径与流体尺寸相当时流体仅能单列通过,流体粒子尺寸越大的体系,所需驱动压力越大。纳米管径较大时,混合流体粒子尺寸对驱动压力影响较小。混合流体中大粒子尺寸越大,进入纳米管的流量越小。大粒子流体在上游数密度比下游的大,小粒子流体则相反。两种粒子尺寸差距越大,浓度差异越大。In this paper,molecular dynamics simulation has been used to study the transport of binary fluid mixtures with three different sizes of particles in nanotube membrane systems with three diameters.The results show that when the diameter of the nanotube is close to the size of the fluid,the fluid can only pass through in a single file state,and the larger the size of the fluid particle,the greater the driving pressure is required.When the diameter of the nanotube is large,the particle size of the fluid mixture has little effect on the driving pressure.The larger the particle size in the fluid mixture,the smaller the flux into the nanotube.The number density of large particles in upstream is larger than that in downstream,while small particles fluid is the opposite.The greater the difference between the two particles,the greater the difference in concentration.

关 键 词：纳米管膜体系 流体混合物 传递 分子动力学模拟 

分 类 号：O642.5[理学—物理化学]