Statistical thermodynamics and transport of linear adsorbates.

A. J. RAMIREZ-PASTOR; T. P. EGGARTER; V. PEREYRA; J. L. RICCARDO

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS

Año: 1999 vol. 59 p. 11027 - 11036

0163-1829

The exact lattice-gas solution for thermodynamics functions, jump and chemical diffusion coefficients of linear adsorbates in a one-dimensional space is presented. Results are compared with corresponding ones from the Flory’s approximation. Significant quantitative and qualitative discrepancies are shown and discussed. The results may be applicable to adsorption and transport of polyatomic molecules in low-dimensional systems such as carbon nanotubes. All calculations are further extended to higher dimensions ~higher connectivity!~higher connectivity! based upon the exact forms in one dimension and a connectivity ansatz. The resulting thermodynamic description is much improved with respect to the known standard approximations.