info:eu-repo/semantics/article
New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
Fecha
2011-03-03Registro en:
Matoz Fernandez, Daniel Alejandro; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods; American Chemical Society; Langmuir; 27; 6; 3-3-2011; 2456-2463
0743-7463
1520-5827
CONICET Digital
CONICET
Autor
Matoz Fernandez, Daniel Alejandro
Linares, Daniel Humberto
Ramirez Pastor, Antonio Jose
Resumen
The adsorption of long, straight rigid rods of length k (k-mers) on 2D lattices is described by using a new theoretical approach based on a generalization of the classical Guggenheim−DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives are 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 are calculated. Comparisons with Monte Carlo simulations are performed in order to test the validity of the theoretical model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat the polymer adsorption problem.