INVESTIGADORES
RAMIREZ PASTOR Antonio Jose
artículos
Título:
Statistical thermodynamics of long straight rigid rods on triangular lattices: nematic order and adsorption thermodynamic functions
Autor/es:
MATOZ FERNANDEZ D. A.; LINARES D. H.; RAMIREZ PASTOR A. J.
Revista:
LANGMUIR
Editorial:
AMER CHEMICAL SOC
Referencias:
Lugar: Washington; Año: 2012 vol. 28 p. 12788 - 12795
ISSN:
0743-7463
Resumen:
The statistical thermodynamics of straight rigid rods of length k on
triangular lattices was developed on a generalization in the spirit of
the lattice-gas model and the classical Guggenheim-DiMarzio
approximation. In this scheme, the Helmholtz free energy and its
derivatives were written in terms of the order parameter, δ, which
characterizes the nematic phase occurring in the system at intermediate
densities. Then, using the principle of minimum free energy with δ as a
parameter, the main adsorption properties were calculated. Comparisons
with Monte Carlo simulations and experimental data were performed in
order to evaluate the outcome and limitations of the theoretical model.