Published December 1, 2018 | Version v1
Journal article Metadata-only

Finite-time fluctuation theorem for diffusion-influenced surface reactions on spherical and Janus catalytic particles

Creators

  • 1. Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles (U.L.B.), Code Postal 231, Campus Plaine, B-1050 Brussels (Belgium)
  • 2. Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6 (Canada)

Description

A finite-time fluctuation theorem for the diffusion-influenced surface reaction is investigated for spherical and Janus catalytic particles. The finite-time rates and thermodynamic force are analytically calculated by solving diffusion equations with the special boundary conditions of the finite-time fluctuation theorem. Theory is compared with numerical simulations carried out with two different methods: a random walk algorithm and multiparticle collision dynamics. (paper: classical statistical mechanics, equilibrium and non-equilibrium)

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-5468/aaeda1

Additional details

Identifiers

DOI
10.1088/1742-5468/aaeda1;

Publishing Information

Journal Title
Journal of Statistical Mechanics
Journal Volume
2018
Journal Issue
12
Journal Page Range
[22 p.]
ISSN
1742-5468

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
52046853
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
ALGORITHMS; BOUNDARY CONDITIONS; COLLISIONS; COMPUTERIZED SIMULATION; DIFFUSION; DIFFUSION EQUATIONS; EQUILIBRIUM; FLUCTUATIONS; PARTICLES; RANDOMNESS; SPHERICAL CONFIGURATION; STATISTICAL MECHANICS; THERMODYNAMICS
Descriptors DEC
CONFIGURATION; DIFFERENTIAL EQUATIONS; EQUATIONS; MATHEMATICAL LOGIC; MECHANICS; PARTIAL DIFFERENTIAL EQUATIONS; SIMULATION; VARIATIONS