Effective coarse-grained solid–fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces-Reference-Cited by-同舟云学术

Effective coarse-grained solid–fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces

Published:2014 Issue:36 Volume:16 Page:19165-19180
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Forte Esther¹²³⁴⁵,Haslam Andrew J.¹²³⁶²,Jackson George¹²³,Müller Erich A.¹²³

Affiliation:

1. Department of Chemical Engineering

2. Imperial College London

3. London SW7 2AZ, UK

4. BP Centre for Petroleum and Surface Chemistry (BP-CPSC)

5. Department of Chemistry

6. Qatar Carbonates and Carbon Storage Research Centre (QCCSRC)

Abstract

In the present contribution we emphasise the necessity of using an adequate averaging procedure to obtain effective fluid–surface potentials. A procedure to develop free-energy-averaged fluid–surface potentials retaining the important temperature dependence of the coarse-grained particle-surface interaction is described.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP00670D

Reference93 articles.

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2. S. Brunauer , The adsorption of gases and vapors, Physical Adsorption , Princeton University Press , 1943 , vol. 1

3. W. Rudzinski and D. H.Everett , Adsorption of Gases on Heterogeneous Surfaces , Academic Press Ltd , London , 1992

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