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• W3115471000 abstract "Abstract We investigate the release of hard-sphere-like molecules from a porous medium to a continuum fluid using dynamical density functional theory. The hard-sphere interactions are employed on the basis of the weighted density approximation. The model porous medium is assumed as a planar wall and molecules are loaded in the medium at an effective density. An equivalent surface density of molecules is applied to determine the surface flux taking into account both the effective medium density and near-wall density fluctuations in the fluid. In the presence of an external flow field which is parabolic near wall, a diffusion layer similar to the mass transfer boundary layer is developed downstream. We compare the effects of various physical parameters including molecular diffusivity, velocity field, interfacial mass transfer resistance, interfacial normal velocity, and effective medium density. We demonstrate that wall-mediated hard-sphere interactions impact the density distribution of released molecules such that the diffusion layer thickness is increased and the near-wall density fluctuation is observed. Moreover, for transient release with a finite amount of loaded molecules, the maximum concentration of the released molecules at different times is identified as a function of distance from the surface. The information gained in this study would be useful to predict the desorption or release efficiency of molecules from a given porous material subjected to various physically-relevant conditions." @default.
• W3115471000 created "2021-01-05" @default.
• W3115471000 creator A5049365789 @default.
• W3115471000 creator A5065531355 @default.
• W3115471000 date "2020-12-01" @default.
• W3115471000 modified "2023-09-24" @default.
• W3115471000 title "Flow-Driven Release of Molecules from a Porous Surface Explored Using Dynamical Density Functional Theory" @default.
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• W3115471000 doi "https://doi.org/10.1016/j.jtice.2020.12.019" @default.
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