Exclusion statistics and thermodynamics of a straight k-mers lattice-gas: Analytical approximation and Monte Carlo simulations

RICCARDO, J.J.; VOGEL E.; PASINETTI P. M.; RICCARDO, J.L.; RAMIREZ PASTOR A. J.

PHYSICA A - STATISTICAL AND THEORETICAL PHYSICS

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2023 vol. 618 p. 1 - 24

0378-4371

Thermodynamics of straight k-mers gas on the square lattice is addressed from itsrelation to state exclusion statistics through a new analytical approximation alongwith a detailed MC analysis. Multiple state exclusion arising as consequence of thespatial correlation between particle states is described through exclusion spectrumfunctions and related to the thermodynamic potentials. An effective lattice analyticalapproximation is introduced through configurational mapping and applied todimers (k = 2) and trimers (k = 3). Simple closed analytical forms for the coveragedependence of multiple state exclusion probabilities and chemical potential are obtained.Remarkable agreement with fast relaxation MC simulations carried out inthis work is already found for the lowest degree of approximation.