Configurational entropy for adsorbed linear species (k-mers)

The configurational entropy of interacting linear molecules (k-mers) absorb ed on a regular lattice is addressed through analytical as well as numerica l methods. The general definitions for computational exact calculations of k-mers lattice-gas entropy are presented. In addition, theoretical basis fo r accurate analytical estimations of the entropy of reference states are gi ven. The coverage and temperature dependence of the configurational entropy of interacting adsorbed dimers on one and two-dimensional lattices are obt ained. A novel phase behavior of k-mers lattice-gas is shown and discussed. (C) 2001 American Institute of Physics.