On Modeling, Simulation and Statistical Properties of Realistic Three Dimensional Porous Networks
Source abstract
Abstract
The basis for modeling and simulation of self-consistent porous networks encompassing pore and throat-size distributions, size correlation and non-uniform connectivity are given. The framework is a straightforward generalization of the Dual Site–Bond Description (DD) of Ref. (J. Chem. Soc. Faraday Trans I 84, 801 (1988)), which considers heterogeneity (size distribution of entities), correlation and connectivity as interdependent characteristics of the porous space. A general and technically simple method for Monte Carlo simulation of three-dimensional networks is presented and exemplified. Statistical and topological properties of simulated networks are shown and analyzed.
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Research context
OpenAlex topics: Mesoporous Materials and Catalysis · Catalysis and Oxidation Reactions · Zeolite Catalysis and Synthesis
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References (42)
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