Modelling of Transport in Porous Solids：在多孔固体运输建模.pptVIP

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2018-03-27 发布于重庆
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Modelling of Transport in Porous Solids：在多孔固体运输建模.ppt

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Modelling of Transport in Porous Solids：在多孔固体运输建模

Modelling of Transport within Porous Solids Sean Rigby Chemical Engineering Problems being addressed Intrusion and extrusion of a non-wetting fluid within porous solids simulation of mercury porosimetry Coupled diffusion and reaction with coke deposition in porous heterogeneous catalysts Mercury porosimetry Pore structure characterisation technique based on non-wetting property of mercury. Can be used to obtain porosity, pore-size distribution, and pore connectivity descriptors. Indirect technique, so interpretation of data is ambiguous, and requires a model. More understanding of the physical processes involved should improve interpretation of raw data. Mercury porosimetry simulations Characterise pore structure using MRI. Simulate mercury intrusion and retraction in structural models based upon MR images. Predict spatial distribution of entrapped mercury (and pressure-volume curves). Compare with X-ray tomography images (and other data). MR data MR provides 128x128x14 grid-size map of the spatial distribution of porosity, pore size and tortuosity for ~2-3 mm dia. pellets. Image voxel 40x40x250 mm Porosimetry simulations Predict mercury intrusion and extrusion using an pseudo-equilibrium, percolation-based model. Obtain predicted spatial distribution of mercury for 2D slices. X-ray tomography Compare model predictions with X-ray images using image analysis techniques, e.g. determine typical mercury ganglion size using auto-correlation function. Pellet dia. ~ 3 mm; Voxels 14x14x14 mm 2D grid size typically 220x220 pixels On-going work Adapt pseudo-equilibrium model to include kinetic effects during retraction. Leading to increase in computing demands. Computing requirements Progress limited by time required for simulations/image analysis to run on a PC. Simulations take ~1 day on good desktop PC. Image analysis takes ~2-3 days on PC. Coupled diffusion and reaction processes Many diffusion-limited reactions in porous heterogeneous catalysts are accompanied by capilla