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Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers
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National Energy Technology Laboratory (NETL) - view all
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Overview

Molecular modeling of water and cation transport in clay mineral nanopores, and a method of obtaining electrical conductivity values from the simulated diffusion coefficients. This method predicts electrical conductivity values for brines and clay phases to aid in the interpretation of well log data.

brinesclaysdiffusionelectrical conductivitymolecular modeling
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CitationJ. A. Greathouse, R. T. Cygan, J. T. Fredrich and G. R. Jerauld. (2016) Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers. J. Phys. Chem. C, 120, 1640-1649
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  • https://pubs.acs.org/doi/10.1021/acs.jpcc.5b10851

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