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Author Zeidman, Benjamin D. ♦ Lu, Ning ♦ Wu, David T.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ COMPUTERIZED TOMOGRAPHY ♦ EXPERIMENTAL DATA ♦ HYSTERESIS ♦ LIQUIDS ♦ MONTE CARLO METHOD ♦ POROUS MATERIALS
Abstract The effects of path-dependent wetting and drying manifest themselves in many types of physical systems, including nanomaterials, biological systems, and porous media such as soil. It is desirable to better understand how these hysteretic macroscopic properties result from a complex interplay between gasses, liquids, and solids at the pore scale. Coarse-Grained Monte Carlo (CGMC) is an appealing approach to model these phenomena in complex pore spaces, including ones determined experimentally. We present two-dimensional CGMC simulations of wetting and drying in two systems with pore spaces determined by sections from micro X-ray computed tomography: a system of randomly distributed spheres and a system of Ottawa sand. Results for the phase distribution, water uptake, and matric suction when corrected for extending to three dimensions show excellent agreement with experimental measurements on the same systems. This supports the hypothesis that CGMC can generate metastable configurations representative of experimental hysteresis and can also be used to predict hysteretic constitutive properties of particular experimental systems, given pore space images.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-05-07
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 144
Issue Number 17


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