Configurational entropy for adsorbed linear species (k-mers)

descriptionPublicationkeyboard_double_arrow_right Article , Other literature type 22 Jun 2001 Argentina English Publisher:AIP PublishingJournal:The Journal of Chemical Physics, volume 114, pages 10,932-10,937 (issn: 0021-9606, eissn: 1089-7690,

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Authors: F. Romá; A. J. Ramírez-Pastor; J. L. Riccardo;

doi: 10.1063/1.1372187 , 10.60692/w4gv9-cqx72 , 10.60692/3sszg-e4a55

handle: 11336/156278

Configurational entropy for adsorbed linear species (k-mers)

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Abstract

The configurational entropy of interacting linear molecules (k-mers) absorbed on a regular lattice is addressed through analytical as well as numerical methods. The general definitions for computational exact calculations of k-mers lattice-gas entropy are presented. In addition, theoretical basis for accurate analytical estimations of the entropy of reference states are given. The coverage and temperature dependence of the configurational entropy of interacting adsorbed dimers on one and two-dimensional lattices are obtained. A novel phase behavior of k-mers lattice-gas is shown and discussed.

Country

Argentina

Related Organizations

National Scientific and Technical Research Council
Argentina
National University of San Luis
Argentina

Keywords

Materials Science, Configurational entropy, Adsorbed linear species, Statistical Mechanics with Long-Range Interactions and Nonextensivity, https://purl.org/becyt/ford/1.4, Materials Chemistry, Entropy (arrow of time), https://purl.org/becyt/ford/1, Stochastic Thermodynamics and Fluctuation Theorems, Accelerating Materials Innovation through Informatics, Physics, Statistical and Nonlinear Physics, Acoustics, Lattice (music), Configuration entropy, Chemistry, Generalized Entropies, Physics and Astronomy, Physical Sciences, Thermodynamics, Statistical physics

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