Two binding states lattice gas model with multiple interaction: A transfer matrix approach.
Date
1992
Authors
Zhang, Jun.
Journal Title
Journal ISSN
Volume Title
Publisher
Dalhousie University
Abstract
Description
The lattice gas model sets up a regular array of points on a plane for particles in the gas phase to adsorb on. In reality, more than one energy levels on a solid surface are available for the ad-particles. Taking the lateral interactions into consideration, things are more complicated: the most probable energy level for an ad-particle to stay may depend on whether there are particles already adsorbed. At certain coverages, the ad-particles may move away from regular surface cell. A two binding states lattice gas model is introduced to simulate the real surface phenomena using transfer matrix method.
Frequently examined thermodynamic quantities like coverage, isosteric heat and internal energy are related to the grand canonical partition function of specific systems calculated from the transfer matrix; the desorption rate is expressed in terms of the adsorbate chemical potential under quasi-equilibrium conditions. Using a conventional lattice gas model, we reexamined certain equilibrium properties of 2-d gases on a square lattice, specially we calculated the entropy per site to analyse the possible structures formed on surfaces. We gave the kinetics and dynamics on triangular lattice a systematic study, including multi-interactions. Also examined are equilibrium properties of gases on a honeycomb lattice.
Using the two binding states lattice gas model, we fitted the isotherm and desorption trace of CO on a Rhodium (110) surface to a recent experimental result almost perfectly.
Thesis (Ph.D.)--Dalhousie University (Canada), 1992.
Frequently examined thermodynamic quantities like coverage, isosteric heat and internal energy are related to the grand canonical partition function of specific systems calculated from the transfer matrix; the desorption rate is expressed in terms of the adsorbate chemical potential under quasi-equilibrium conditions. Using a conventional lattice gas model, we reexamined certain equilibrium properties of 2-d gases on a square lattice, specially we calculated the entropy per site to analyse the possible structures formed on surfaces. We gave the kinetics and dynamics on triangular lattice a systematic study, including multi-interactions. Also examined are equilibrium properties of gases on a honeycomb lattice.
Using the two binding states lattice gas model, we fitted the isotherm and desorption trace of CO on a Rhodium (110) surface to a recent experimental result almost perfectly.
Thesis (Ph.D.)--Dalhousie University (Canada), 1992.
Keywords
Chemistry, Physical., Physics, Condensed Matter., Physics, Fluid and Plasma.