首页|Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance

Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance

扫码查看
原文链接
  • NETL
  • NSTL
  • 万方数据
  • 维普
In modern chemical engineering processes, solid interface involvement is themost important component of process intensification techniques, such as nanoporousmembrane separation and heterogeneous catalysis. The fundamental mechanismunderlying interfacial transport remains incompletely understood given the complexity of heterogeneous interfacial molecular interactions and the high nonideality of the fluid involved. Thus, understanding the effects of interface-induced fluidmicrostructures on flowresistance is the first step in further understanding interfacial transport.Molecular simulation has become an indispensable method for the investigation of fluid microstructure and flow resistance. Here, we reviewed the recent research progress of our group and the latest relevant works to elucidate the contribution of interface-induced fluid microstructures to flow resistance. We specifically focused on water, ionic aqueous solutions, and alcohol-water mixtures given the ubiquity of these fluid systems in modern chemical engineering processes. We discussed the effects of the interfaceinduced hydrogen bond networks ofwatermolecules, the ionic hydration of ionic aqueous solutions, and the spatial distributions of alcohol and alcohol-watermixtures on flow resistance on the basis of the distinctive characteristics of different fluid systems.

Process intensificationNanoconfined fluidInterfaceComplex fluidsMicro structureMolecular simulation

Yumeng Zhang、Yudan Zhu、Anran Wang、Qingwei Gao、Yao Qin、Yaojia Chen、Xiaohua Lu

展开 >

College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China

Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå 97187, Sweden

Supported by the National Natural Science Foundation of ChinaSupported by the National Natural Science Foundation of ChinaSupported by the National Natural Science Foundation of ChinaSupported by the National Natural Science Foundation of ChinaProject of Jiangsu Natural Science Foundation of ChinaQing Lan Project, Jiangsu Overseas Visiting Scholar Program for University Prominent Young & Middle-aged Teachers and Presidentsauthors are grateful to the High Performance Computing Center of Nanjing Tech University for supporting the computational re

21878144215761302149058421838004BK20171464PAPD

2019

中国化学工程学报(英文版)
中国化工学会

中国化学工程学报(英文版)

CSTPCDCSCDSCIEI
影响因子：0.818
ISSN：1004-9541
年,卷(期)：2019.27(6)
  • 2
  • 7