Abstract

The quasi-chemical and diagrammatic approximations are generalized for two-level lattice gas systems that are considered as models of intercalation compounds. The role of interparticle interactions is investigated. Monte Carlo simulation are used to demonstrate that the diagrammatic approximation represents well such equilibrium and structural lattice gas properties as the chemical potential isotherms, phase transition diagram, the thermodynamic factor (or chemical capacitance) and the probability for nearest neighbor sites to be occupied. Simpler quasi-chemical approximation can be used when semiquantitative results are of interest. Diffusion properties are investigated by means of Monte Carlo simulations.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.