Literature DB >> 18315066

Mean field kinetic theory for a lattice gas model of fluids confined in porous materials.

Peter A Monson1.   

Abstract

We consider the mean field kinetic equations describing the relaxation dynamics of a lattice model of a fluid confined in a porous material. The dynamical theory embodied in these equations can be viewed as a mean field approximation to a Kawasaki dynamics Monte Carlo simulation of the system, as a theory of diffusion, or as a dynamical density functional theory. The solutions of the kinetic equations for long times coincide with the solutions of the static mean field equations for the inhomogeneous lattice gas. The approach is applied to a lattice gas model of a fluid confined in a finite length slit pore open at both ends and is in contact with the bulk fluid at a temperature where capillary condensation and hysteresis occur. The states emerging dynamically during irreversible changes in the chemical potential are compared with those obtained from the static mean field equations for states associated with a quasistatic progression up and down the adsorption/desorption isotherm. In the capillary transition region, the dynamics involves the appearance of undulates (adsorption) and liquid bridges (adsorption and desorption) which are unstable in the static mean field theory in the grand ensemble for the open pore but which are stable in the static mean field theory in the canonical ensemble for an infinite pore.

Year:  2008        PMID: 18315066     DOI: 10.1063/1.2837287

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  6 in total

1.  Quasi-Two-Dimensional Phase Transition of Methane Adsorbed in Cylindrical Silica Mesopores.

Authors:  Daniel W Siderius; William P Krekelberg; Wei-Shan Chiang; Vincent K Shen; Yun Liu
Journal:  Langmuir       Date:  2017-12-11       Impact factor: 3.882

2.  Connection Between Thermodynamics and Dynamics of Simple Fluids in Pores: Impact of Fluid-Fluid Interaction Range and Fluid-Solid Interaction Strength.

Authors:  William P Krekelberg; Daniel W Siderius; Vincent K Shen; Thomas M Truskett; Jeffrey R Errington
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2017-07-05       Impact factor: 4.126

3.  Position-Dependent Dynamics Explain Pore-Averaged Diffusion in Strongly Attractive Adsorptive Systems.

Authors:  William P Krekelberg; Daniel W Siderius; Vincent K Shen; Thomas M Truskett; Jeffrey R Errington
Journal:  Langmuir       Date:  2017-11-29       Impact factor: 3.882

4.  Advancing Computational Analysis of Porous Materials-Modeling Three-Dimensional Gas Adsorption in Organic Gels.

Authors:  Elisha Martin; Martin Prostredny; Ashleigh Fletcher; Paul Mulheran
Journal:  J Phys Chem B       Date:  2021-02-16       Impact factor: 2.991

5.  Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion.

Authors:  Colin Bousige; Pierre Levitz; Benoit Coasne
Journal:  Nat Commun       Date:  2021-02-15       Impact factor: 14.919

6.  Accurate determination of the vapor-liquid-solid contact line tension and the viability of Young equation.

Authors:  Yawei Liu; Jianjun Wang; Xianren Zhang
Journal:  Sci Rep       Date:  2013       Impact factor: 4.379

  6 in total

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