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- W2494563721 abstract "An overview is given of recent progress made in our laboratory on this topic. The density profiles of fluid in micropores are found by solving numerically an approximate Yvon-Born-Green equation. A related local average density model (LADM) allows prediction of transport and flow in inhomogeneous fluids from density profiles. A rigorous extension of the Enskog theory of transport is also outlined. Simple results of this general approach for the tracer diffusion and Couette flow between planar micropore walls are presented. Equilibrium and flow (molecular dynamics) simulations are compared with the theoretical predictions. Simulated density profiles of the micropore fluid exhibit substantial fluid layering. The number and sharpness of fluid layers depend sensitively on the pore width. The solvation force and the pore average density and diffusivity are oscillating functions of the pore width. The theoretical predictions for these quantities agree qualitatively with the simulation results. The flow simulations indicate that the flow does not affect the fluid structure and diffusivity even at extremely high shear rates (1010s-1). The fluid structure induces large deviations of the shear stress and the effective viscosity from the bulk fluid values. The flow velocity profiles are correlated with the density profiles and differ from those of a bulk fluid. The LADM and extended Enskog theory predictions for the velocity profiles and the pore average diffusivity agree very well with each other and with the simulation results. The LADM predictions for the shear stress and the effective viscosity agrees fairly well with the simulation results." @default.
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- W2494563721 date "1987-10-22" @default.
- W2494563721 modified "2023-10-17" @default.
- W2494563721 title "Theory and Computer Simulation of Structure, Transport, and Flow of Fluid in Micropores" @default.
- W2494563721 doi "https://doi.org/10.1021/bk-1987-0353.ch015" @default.
- W2494563721 hasPublicationYear "1987" @default.
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