Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations

Published:2019-10-11 Issue:12 Volume:15 Page:6907-6922
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Apostolopoulou Maria¹,Santos Mirella S.²^ORCID,Hamza Muhammad²,Bui Tai¹,Economou Ioannis G.²,Stamatakis Michail¹^ORCID,Striolo Alberto¹^ORCID

Affiliation:

1. Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE, United Kingdom

2. Chemical Engineering Program, Texas A&M University at Qatar, P.O. Box 23874, Doha, Qatar

Funder

Leverhulme Trust

Horizon 2020 Framework Programme

Halliburton Company

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00776

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2. Mississippian Barnett Shale, Fort Worth basin, north-central Texas: Gas-shale play with multi–trillion cubic foot potential

3. Morphology, Genesis, and Distribution of Nanometer-Scale Pores in Siliceous Mudstones of the Mississippian Barnett Shale

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