Lattice-gas model of diffusion of NH 3 on Re (0001)

Danani, Andrea and Ferrando, Riccardo and Scalas, Enrico and Torri, Massimo and Brivio, GP (1995) Lattice-gas model of diffusion of NH 3 on Re (0001). Chemical Physics Letters, 236 (6). pp. 533-537. ISSN 0009-2614

Full text not available from this repository.


A lattice-gas model for the chemical diffusion of NH3 on Re(0001) is presented. The system is modelled as a triangular lattice gas with nearest-neighbour repulsive lateral interactions. The average jump rate and the static structure factor are calculated within the cluster variation method framework by using a cluster of seven sites. Then the chemical diffusion coefficient is evaluated in the Darken approximation. This results in the jump rate and diffusion coefficient strongly increasing with coverage in agreement with experimental measurements.

Actions (login required)

View Item View Item