A correlation between the equilibrium and transport properties of intercalation systems
E.V. Vakarin, J.P. Badiali
TL;DR
This paper investigates the relationship between equilibrium and transport properties in intercalation systems using a combined lattice gas and elasticity model, explaining experimental behaviors through host volume changes.
Contribution
It introduces a theoretical framework linking intercalation isotherms and diffusion coefficients to host volume variations, validated against experimental data.
Findings
Intercalation isotherms are explained by host volume changes.
Chemical diffusion coefficients depend on host volume variation.
The model aligns well with experimental data on PdH_x, Li_xWO_3, and Li-graphite.
Abstract
Employing the lattice gas model, combined with the linear elasticity theory, a correlation between the equilibrium and transport properties of intercalated species is investigated. It is shown that the major features of the intercalation isotherms and the concentration dependence of the chemical diffusion coefficient can be well understood in terms of the change of the host volume in the course of intercalation. Theoretical predictions are compared to the experimental observations on PdH_x, Li_xWO_3 and Li-graphite systems.
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