文献类型：期刊文献

英文题名：On the relation between dynamical density functional theory and Navier-Stokes equation

作者：Qiao, Chongzhi[1,2,3,4];Zhao, Teng[3,4];Yu, Xiaochen[3,4];Qing, Leying[3,4];Bao, Bo[3,4];Zhao, Shuangliang[1,2,3,4];Liu, Honglai[3,5]

机构：[1]Guangxi Univ, Guangxi Key Lab Petrochem Resource Proc & Proc In, Nanning 530004, Peoples R China;[2]Guangxi Univ, Sch Chem & Chem Engn, Nanning 530004, Peoples R China;[3]East China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[4]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[5]East China Univ Sci & Technol, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China

年份：2021

卷号：230

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20204309400721);WOS:【SCI-EXPANDED(收录号:WOS:000600281800015)】；

基金：This work is supported by the National Natural Science Foundation of China (Nos. 91934302, 22008063, and 21878078), and by the Shanghai Science and Technology Innovation Action Plan (18160743700).

语种：英文

外文关键词：Dynamical density functional theory; Navier-Stokes equations; Pressure tensor; Near-equilibrium assumption; Flow effect

摘要：Navier-Stokes equations are widely applied to deal with non-equilibrium fluid dynamics such as the flow field on nanoscale. On the other category, dynamical density functional theory (DDFT) has recently been recognized as a robust tool to investigate the non-equilibrium processes such as molecular diffusion and adsorption dynamics. Both approaches have achieved great success and it's natural to wonder if there is any intrinsic relation inbetween. Herein, we prove that DDFT can be derived from the general NavierStokes equations with approximate evaluation of pressure tensor. Motivated by this procedure, we introduce the flow effect on pressure tensor, and then propose extensions of DDFT for addressing the coupling between dynamic adsorption and fluid flow. This work, revealing the relation between DDFT and NavierStokes equations, not only casts novel insights into the extension of DDFT, but also highlights a potential route to overcome the Navier-Stokes analytic solution problem. (C) 2020 Elsevier Ltd. All rights reserved.