Diffusivity of CH4In Model Silica Nanopores: Molecular Dynamics and Quasichemical Mean Field Theory

DOI10.1080/08927020512331325783zbMath1077.81550OpenAlexW2101588509MaRDI QIDQ4663143

George K. Papadopoulos

Publication date: 30 March 2005

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/08927020512331325783

zbMATH Keywords

Molecular dynamics, Dual control volume grand canonical molecular dynamics, Nanopores, Transport diffusivity, Corrected diffusivity, Quasichemical mean field approximation

Mathematics Subject Classification ID

Molecular physics (81V55)

Uses Software

• VPI

Cites Work

• Molecular Simulations of Knudsen Wall-slip: Effect of Wall Morphology
• Statistical theory of superlattices

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