Diffusion in tight confinement: a lattice-gas cellular automaton approach. II. Transport properties.
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.
Demontis
Pierfranco
P
Dipartimento di Chimica, Università degli Studi di Sassari, and Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di Ricerca di Sassari, via Vienna, 2 I-07100 Sassari, Italy. demontis@uniss.it
Pazzona
Federico G
FG
Suffritti
Giuseppe B
GB