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Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…

Chemical Physics · Physics 2023-11-02 Shixin Xu , Robert Eisenberg , Zilong Song , Huaxiong Huang

Extracting governing physical laws from computational or experimental data is crucial across various fields such as fluid dynamics and plasma physics. Many of those physical laws are dissipative due to fluid viscosity or plasma collisions.…

Computational Physics · Physics 2026-02-11 Yubin Lu , Xiaofan Li , Chun Liu , Qi Tang , Yiwei Wang

The kinetics of chemical reactions are determined by the law of mass action, which has been successfully applied to homogeneous, dilute mixtures. At non-dilute conditions, interactions among the components can give rise to coexisting…

A spatio-temporal evolution of chemicals appearing in a reversible enzyme reaction and modelled by a four component reaction-diffusion system with the reaction terms obtained by the law of mass action is considered. The large time behaviour…

Analysis of PDEs · Mathematics 2016-10-25 Jan Elias

When exposed to a thermal gradient, reaction networks can convert thermal energy into the chemical selection of states that would be unfavourable at equilibrium. The kinetics of reaction paths, and thus how fast they dissipate available…

Statistical Mechanics · Physics 2021-09-01 Shiling Liang , Paolo De Los Rios , Daniel Maria Busiello

We study diffusion-controlled processes in nonequilibrium steady states, where standard rate theory assumptions break down. Using transition path theory, we generalize the relations between reactive probability fluxes and measures of the…

Chemical Physics · Physics 2025-06-02 Seokjin Moon , David T. Limmer

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

We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved---or to account for chemical reactions,…

High Energy Physics - Theory · Physics 2020-06-25 Michael J. Landry

Electro-energy-reaction-diffusion systems are thermodynamically consistent continuum models for reaction-diffusion processes that account for temperature and electrostatic effects in a way that total charge and energy are conserved. The…

Analysis of PDEs · Mathematics 2026-04-09 Katharina Hopf , Michael Kniely , Alexander Mielke

Comprehensive and predictive simulation of coupled reaction networks has long been a goal of biology and other fields. Currently, metabolic network models that utilize enzyme mass action kinetics have predictive power but are limited in…

Molecular Networks · Quantitative Biology 2015-12-07 William R. Cannon , Scott E. Baker

The law of mass action is used widely. The law of mass action does not automatically conserve current, as is clear from mathematics of a simple case, chosen to illustrate the issues. The law of mass action does not force a series of…

Other Quantitative Biology · Quantitative Biology 2015-08-12 Bob Eisenberg

Fluid dynamics accompanies with the entropy production thus increases the local temperature, which plays an important role in charged systems such as the ion channel in biological environment and electrodiffusion in capacitors/batteries. In…

Fluid Dynamics · Physics 2017-11-09 Pei Liu , Simo Wu , Chun Liu

We consider absorbing chemical reactions in a fluid flow modeled by the coupled advection-reaction-diffusion equations. In these systems, the interplay between chemical diffusion and fluid transportation causes the enhanced dissipation…

Analysis of PDEs · Mathematics 2022-07-27 Siming He , Alexander Kiselev

Diverse physical systems are characterized by their response to small perturbations. Near thermodynamic equilibrium, the fluctuation-dissipation theorem provides a powerful theoretical and experimental tool to determine the nature of…

Statistical Mechanics · Physics 2020-03-25 Jeremy A. Owen , Todd R. Gingrich , Jordan M. Horowitz

In an equilibrium chemical reaction mixture, the number of molecules present obeys a Poisson distribution. We ask when the same is true of the steady state of a nonequilibrium reaction network and obtain an essentially complete answer. In…

Statistical Mechanics · Physics 2013-05-29 David K. Lubensky

We propose a variational formulation for the nonequilibrium thermodynamics of discrete open systems, i.e., discrete systems which can exchange mass and heat with the exterior. Our approach is based on a general variational formulation for…

Mathematical Physics · Physics 2018-12-05 François Gay-Balmaz , Hiroaki Yoshimura

Using equilibrium fluctuations to understand the response of a physical system to an externally imposed perturbation is the basis for linear response theory, which is widely used to interpret experiments and shed light on microscopic…

Statistical Mechanics · Physics 2024-06-24 Jérémie Klinger , Grant M. Rotskoff

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

All current formulations of nonequilibrium thermodynamics of open chemical reaction networks rely on the assumption of non-interacting species. We develop a general theory which accounts for interactions between chemical species within a…

Statistical Mechanics · Physics 2021-03-09 Francesco Avanzini , Emanuele Penocchio , Gianmaria Falasco , Massimiliano Esposito

Most of the previous studies on the well-known Gray-Scott model view it as an irreversible chemical reaction system. In this paper, we derive a four-species reaction-diffusion system using the energetic variational approach based on the law…

Analysis of PDEs · Mathematics 2022-04-01 Jiangyan Liang , Ning Jiang , Chun Liu , Yiwei Wang , Teng-Fei Zhang
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