An analytic approach to maximize entropy for computing equilibrium densities of k-mers on linear chains

Avila, A., I; Gonzalez-Flores, M., I; Lebrecht, W.

Abstract

The irreversible adsorption of polyatomic (or k-mers) on linear chains is related to phenomena such as the adsorption of colloids, long molecules, and proteins on solid substrates. This process generates jammed or blocked final states. In the case of k = 2, the binomial coefficient computes the number of final states. By the canonical ensemble, the Boltzmann-Gibbs-Shannon entropy function is obtained by using Stirling's approximation, and its equilibrium density rho(eq,2) is its maximum at the thermodynamic limit with value rho(eq,2) approximate to 0.822 991 17. Moreover, since at the same energy we have several possible configurations, we obtain the state probability density. Maximizing the entropy, it converges to a Gaussian distribution N(rho(eq,2), sigma(2)(eq,2)) as L -> infinity L -> infinity.

Más información

Título según WOS: An analytic approach to maximize entropy for computing equilibrium densities of k-mers on linear chains
Título de la Revista: JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
Volumen: 54
Número: 5
Editorial: IOP PUBLISHING LTD
Fecha de publicación: 2021
DOI:

10.1088/1751-8121/ABD784

Notas: ISI