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The concept of entropy in nonequilibrium macroscopic systems is investigated in the light of an extended equation of motion for the density matrix obtained in a previous study. It is found that a time-dependent information entropy can be…

Statistical Mechanics · Physics 2009-11-10 W. T. Grandy

This paper is devoted to the study of systems of reaction-cross diffusion equations arising in population dynamics. New results of existence of weak solutions are presented, allowing to treat systems of two equations in which one of the…

Analysis of PDEs · Mathematics 2014-10-28 Laurent Desvillettes , Thomas Lepoutre , Ayman Moussa , Ariane Trescases

In this article we propose a unified framework in order to study reaction-diffusion systems containing self- and cross-diffusion using a free energy approach. This framework naturally leads to the formulation of an energy law, and to a…

Computational Physics · Physics 2021-10-12 Benjamin Aymard

Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

Numerical Analysis · Mathematics 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt

We study fluctuations in diffusion-limited reaction systems driven out of their stationary state. Using a numerically exact method, we investigate fluctuation ratios in various systems which differ by their level of violation of microscopic…

Statistical Mechanics · Physics 2009-11-13 Sven Dorosz , Michel Pleimling

We derive a model for the non-isothermal reaction-diffusion equation. Combining ideas from non-equilibrium thermodynamics with the energetic variational approach we obtain a general system modeling the evolution of a non-isothermal chemical…

Analysis of PDEs · Mathematics 2021-02-03 Chun Liu , Jan-Eric Sulzbach

Reaction-diffusion equations are widely used as the governing evolution equations for modeling many physical, chemical, and biological processes. Here we derive reaction-diffusion equations to model transport with reactions on a…

Statistical Mechanics · Physics 2020-09-16 E. Abad , C. N. Angstmann , B. I. Henry , A. V. McGann , F. Le Vot , S. B. Yuste

Multispecies reaction-diffusion systems, for which the time evolution equation of correlation functions become a closed set, are considered. A formal solution for the average densities is found. Some special interactions and the exact time…

Condensed Matter · Physics 2012-01-27 A. Aghamohammadi , A. H. Fatollahi , M. Khorrami , A. Shariati

Most biochemical reactions in living cells are open systems interacting with environment through chemostats to exchange both energy and materials. At a mesoscopic scale, the number of each species in those biochemical reactions can be…

Optimization and Control · Mathematics 2022-11-08 Yuan Gao , Jian-Guo Liu

Motivated by entropic optimal transport, time reversal of diffusion processes is revisited. An integration by parts formula is derived for the carr\'e du champ of a Markov process in an abstract space. It leads to a time reversal formula…

Probability · Mathematics 2022-09-05 Patrick Cattiaux , Giovanni Conforti , Ivan Gentil , Christian Léonard

This paper presents an {\it ab initio} derivation of the expression given by irreversible thermodynamics for the rate of entropy production for different classes of diffusive processes. The first class are Lorentz gases, where…

Chaotic Dynamics · Physics 2009-11-07 J. R. Dorfman , P. Gaspard , T. Gilbert

The reversible A <-> B reaction-diffusion process, when species A and B are initially mixed and diffuse with different diffusion coefficients, is investigated using the boundary layer function method. It is assumed that the ratio of the…

Statistical Mechanics · Physics 2008-10-22 M. Sinder , V. Sokolovsky , J. Pelleg

In the framework of irreversible thermodynamics, we study autonomous systems of reaction-diffusion equations to show how the entropy and free energy of an open and irreversible reactor depend on concentrations. To do this, we find a…

Statistical Mechanics · Physics 2022-07-13 Aldo Ledesma-Durán , Iván Santamaría-Holek

We investigate the irreversible evolution of a small system in which a chemical reaction takes place. We have two main goals: the first requires to find an equation to produce a time-irreversible behavior,the second consists in introducing…

Statistical Mechanics · Physics 2013-12-17 J. P. Badiali

For many real physico-chemical complex systems detailed mechanism includes both reversible and irreversible reactions. Such systems are typical in homogeneous combustion and heterogeneous catalytic oxidation. Most complex enzyme reactions…

Statistical Mechanics · Physics 2013-01-17 A. N. Gorban , E. M. Mirkes , G. S. Yablonsky

The time variation of entropy, as an alternative to the variance, is proposed as a measure of the diffusion rate. It is shown that for linear and time-translationally invariant systems having a large-time limit for the density, at large…

Statistical Mechanics · Physics 2013-05-24 Amir Aghamohammadi , Amir H. Fatollahi , Mohammad Khorrami , Ahmad Shariati

We study the boundedness and convergence to equilibrium of weak solutions to reaction-diffusion systems with nonlinear diffusion. The nonlinear diffusion is of porous medium type and the nonlinear reaction terms are assumed to grow…

Analysis of PDEs · Mathematics 2017-11-09 Klemens Fellner , Evangelos Latos , Bao Quoc Tang

The use of mathematical methods for the analysis of chemical reaction systems has a very long history, and involves many types of models: deterministic versus stochastic, continuous versus discrete, and homogeneous versus spatially…

Molecular Networks · Quantitative Biology 2018-05-29 Polly Y. Yu , Gheorghe Craciun

To model bio-chemical reaction systems with diffusion one can either use stochastic, microscopic reaction-diffusion master equations or deterministic, macroscopic reaction-diffusion system. The connection between these two models is not…

Analysis of PDEs · Mathematics 2023-06-21 Malcolm Egan , Bao Quoc Tang

Formation of the nonequilibrium subsystem in dynamical processes during defect generation is simulated by means of molecular dynamics. A particular process of dissipation of the low-frequency acoustic emission into high-frequency…

Computational Physics · Physics 2009-12-11 Leonid S. Metlov