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Entropy generation in a chemical reaction is analyzed without using the general formalism of non-equilibrium thermodynamics at a level adequate for advanced undergraduates. In a first approach to the problem, the phenomenological kinetic…

General Physics · Physics 2015-06-11 E. N. Miranda

Motivated by recent progress on the interplay between graph theory, dynamics, and systems theory, we revisit the analysis of chemical reaction networks described by mass action kinetics. For reaction networks possessing a thermodynamic…

Optimization and Control · Mathematics 2012-06-19 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana

As a generalization of deterministic, nonlinear conservative dynamical systems, a notion of {\em canonical conservative dynamics} with respect to a positive, differentiable stationary density $\rho(x)$ is introduced: $\dot{x}=j(x)$ in which…

Mathematical Physics · Physics 2013-05-09 Hong Qian

Cataloging the complex behaviors of dynamical systems can be challenging, even when they are well-described by a simple mechanistic model. If such a system is of limited analytical tractability, brute force simulation is often the only…

Machine Learning · Computer Science 2023-01-04 Hunter Elliott

In this paper, we present criteria for non-exponential ergodicity of continuous-time Markov chains on a countable state space. These criteria can be verified by examining the ratio of transition rates over certain paths. We applied this…

Probability · Mathematics 2024-02-09 Minjoon Kim , Jinsu Kim

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 obtain bounds on the Kullback--Leibler divergence to equilibrium for mass-action chemical reaction networks (CRNs) with equilibrium. The associated decay rates are characterized in terms of the singular values of the stoichiometric…

Molecular Networks · Quantitative Biology 2026-02-24 Keisuke Sugie , Dimitri Loutchko , Tetsuya J. Kobayashi

We consider a class of interacting particle systems in continuous space of non-gradient type, which are reversible with respect to Poisson point processes with constant density. For these models, a rate of convergence was recently obtained…

Probability · Mathematics 2024-01-19 Chenlin Gu , Jean-Christophe Mourrat , Maximilian Nitzschner

This paper deals with diffusive limit of the p-system with damping and its approximation by an Asymptotic Preserving (AP) Finite Volume scheme. Provided the system is endowed with an entropy-entropy flux pair, we give the convergence rate…

Numerical Analysis · Mathematics 2016-09-07 Christophe Berthon , Marianne Bessemoulin-Chatard , Hélène Mathis

Stochastic thermodynamics gives universal relations for microscopic entropy production, yet its critical behavior at macroscopic nonequilibrium transitions remains unclassified. We study well-mixed reversible chemical reaction networks in…

Statistical Mechanics · Physics 2026-05-06 Kyota Tamano , Keiji Saito

Diffusive transport of a particle in spatially correlated random energy landscape having exponential density of states has been considered. We exactly calculate the diffusivity in the nondispersive quasi-equilibrium transport regime and…

Disordered Systems and Neural Networks · Physics 2018-02-14 S. V. Novikov

We briefly review the recently developed, Markov process based isothermal chemical thermodynamics for nonlinear, driven mesoscopic kinetic systems. Both the instantaneous Shannon entropy {\boldmath $S[p_{\alpha}(t)]$} and relative entropy…

Statistical Mechanics · Physics 2017-01-10 David B. Saakian , Hong Qian

We consider a reaction-diffusion system which may serve as a model for a ferment catalytic reaction in chemistry. The model consists of a system of reaction diffusion equations with unbounded time dependent coefficients and different…

Analysis of PDEs · Mathematics 2022-06-14 Mohamed Majdoub , Nasser-eddine Tatar

The theory of entropy production in nonequilibrium, Hamiltonian systems, previously described for steady states using partitions of phase space, is here extended to time dependent systems relaxing to equilibrium. We illustrate the main…

Chaotic Dynamics · Physics 2009-10-31 T. Gilbert , J. R. Dorfman , P. Gaspard

Modelling the dynamics of dense granular media is a long standing challenge and essential to many natural phenomena and technological applications. Here, we trace back puzzling experimental observation of detailed-balanced steady states to…

Soft Condensed Matter · Physics 2024-10-29 Clara C. Wanjura , Amelie Mayländer , Othmar Marti , Raphael Blumenfeld

Chemical reaction network theory is a powerful framework to describe and analyze chemical systems. While much about the concentration profile in an equilibrium state can be determined in terms of the graph structure, the overall reaction's…

Molecular Networks · Quantitative Biology 2024-02-29 Tomoharu Suda

We review in a unified way results for two types of stochastic chemical reaction systems for which moments can be effectively computed: feedforward networks and complex-balanced networks.

Optimization and Control · Mathematics 2016-12-08 Eduardo D. Sontag

We present an explicit method for simulating stochastic differential equations (SDEs) that have variable diffusion coefficients and satisfy the detailed balance condition with respect to a known equilibrium density. In Tupper and Yang…

Numerical Analysis · Mathematics 2014-06-27 Paul Tupper , Xin Yang

We propose and analyze a one-dimensional multi-species cross-diffusion system with non-zero-flux boundary conditions on a moving domain, motivated by the mod- eling of a Physical Vapor Deposition process. Using the boundedness by entropy…

Analysis of PDEs · Mathematics 2017-09-22 Athmane Bakhta , Virginie Ehrlacher

Reaction-diffusion systems where transition rates exhibit quenched disorder are common in physical and chemical systems. We study pair reactions on a periodic two-dimensional lattice, including continuous deposition and spontaneous…

Disordered Systems and Neural Networks · Physics 2010-11-10 A. Wolff , I. Lohmar , J. Krug , Y. Frank , O. Biham