1. Diffusion in tight confinement: A lattice-gas cellular automaton approach. II. Transport properties.
- Author
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Demontis, Pierfranco, Pazzona, Federico G., and Suffritti, Giuseppe B.
- Subjects
LATTICE gas ,PROPERTIES of matter ,DIFFUSION ,CELLS ,MOLECULAR dynamics ,PHYSICAL & theoretical chemistry - Abstract
In this second paper the authors study the transport properties of the lattice-gas cellular automaton presented in Paper I [J. Chem. Phys. 126, 194709 (2007)] to model adsorption and dynamics of particles in a lattice of confining cells. Their work shows how a surprisingly simple parallel rule applied to a static network of cells joined by links set in space and time can generate a wide range of dynamical behaviors. In their model the cells are the elementary constituent objects of the network. They are a portion of space structured in sites which are energetically different. Each cell can accommodate a given maximum number of particles, and each pair of neighboring cells can exchange at most one particle at a time. The predictions of the model are in qualitative agreement with both experimental observations and molecular dynamics simulation results. [ABSTRACT FROM AUTHOR]
- Published
- 2007
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