Molecular dynamics simulations of propane in slit shaped silica nano-pores: direct comparison with quasielastic neutron scattering experiments-Reference-Cited by-同舟云学术

Molecular dynamics simulations of propane in slit shaped silica nano-pores: direct comparison with quasielastic neutron scattering experiments

Published:2017 Issue:48 Volume:19 Page:32320-32332
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gautam Siddharth¹²³⁴^ORCID,Le Thu⁵⁶⁷⁸^ORCID,Striolo Alberto⁵⁶⁷⁸^ORCID,Cole David¹²³⁴

Affiliation:

1. School of Earth Sciences

2. The Ohio State University

3. Columbus 43210

4. USA

5. Department of Chemical Engineering

6. University College London

7. London WC1E 6BT

8. UK

Abstract

MD simulations reveal the origin of anomalous pressure dependence of propane diffusion in silica mesopores.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP05715F

Reference55 articles.

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2. D. R. Cole , E.Mamontov and G.Rother , Structure and Dynamics of Fluids in Microporous and Mesoporous Earth and Engineered Materials , in Neutron Applications in Earth, Energy, and Environmental Sciences , ed. L. Liang , R. Rinaldi and H. Schoeber , 2009 , pp. 547–570

3. D. R. Cole , M. S.Grszkiewicz , J. M.Simonson , A. A.Chialvo , Y. B.Melnichenko , G. D.Wignall , G. W.Lynn , J. S.Lin , A.Habenschuss and B.Gu , et al., “Influence of Nanoscale Porosity on Fluid Behavior” , in Water-Rock Interaction , ed. R. B. Wanty and R. R. Seal II , Taylor & Francis , London , 2004 , pp. 737–740

4. Long-time limit of the self-correlation-function of one-dimensional diffusion

5. Single-File Diffusion Observation

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