Chinese Journal of Chemical Engineering, Vol.27, No.6, 1403-1415, 2019
Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance
In modern chemical engineering processes, solid interface involvement is the most important component of process intensification techniques, such as nanoporous membrane separation and heterogeneous catalysis. The fundamental mechanism underlying 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 fluid microstructures on flow resistance 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 interface-induced hydrogen bond networks of water molecules, the ionic hydration of ionic aqueous solutions, and the spatial distributions of alcohol and alcohol-water mixtures on flow resistance on the basis of the distinctive characteristics of different fluid systems. (C) 2019 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.
Keywords:Process intensification;Nanoconfined fluid;Interface;Complex fluids;Micro structure;Molecular simulation