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Related papers: Nonequilibrium Thermodynamics of Non-Ideal Chemica…

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We develop a thermodynamic framework for closed and open chemical networks applicable to non-elementary reactions that do not need to obey mass action kinetics. It only requires the knowledge of the kinetics and of the standard chemical…

Statistical Mechanics · Physics 2020-09-16 Francesco Avanzini , Gianmaria Falasco , Massimiliano Esposito

Current formulations of nonequilibrium thermodynamics of open chemical reaction networks only consider chemostats as free-energy sources sustaining nonequilibrium behaviours. Here, we extend the theory to include incoherent light as a…

Statistical Mechanics · Physics 2021-09-16 Emanuele Penocchio , Riccardo Rao , Massimiliano Esposito

We build a rigorous nonequilibrium thermodynamic description for open chemical reaction networks of elementary reactions. Their dynamics is described by deterministic rate equations satisfying mass action law. Our most general framework…

Statistical Mechanics · Physics 2017-01-13 Riccardo Rao , Massimiliano Esposito

Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…

Chemical Physics · Physics 2016-10-11 Xiao Jin , Hao Ge

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

This paper studies a mathematical formalism of nonequilibrium thermodynamics for chemical reaction models with $N$ species, $M$ reactions, and general rate law. We establish a mathematical basis for J. W. Gibbs' macroscopic chemical…

Mathematical Physics · Physics 2017-01-04 Hao Ge , Hong Qian

Chemical equilibrium is fully characterized by thermodynamics, while the rates of chemical reactions can be calculated for ideal solutions by using mass-action equations. The evaluation of the rates of reactions in a non-ideal system is…

Chemical Physics · Physics 2025-01-20 Doriano Brogioli , Fabio La Mantia

The article presents new model of equilibrium in open chemical systems suggesting a linear dependence of the reaction shift from equilibrium in presence of the external thermodynamic force. Basic equation of this model contains traditional…

Chemical Physics · Physics 2007-05-23 B. Zilbergleyt

Quantum thermodynamics allows for the interconversion of quantum coherence and mechanical work. Quantum coherence is thus a potential physical resource for quantum machines. However, formulating a general nonequilibrium thermodynamics of…

Quantum Physics · Physics 2025-11-05 Franklin L. S. Rodrigues , Eric Lutz

Thermodynamic principles are often deceptively simple and yet surprisingly powerful. We show how a simple rule, such as the net flow of energy in and out of a moving atom under nonequilibrium steady state condition, can expose the…

Quantum Physics · Physics 2020-11-30 Daniel Reiche , Francesco Intravaia , Jen-Tsung Hsiang , Kurt Busch , Bei-Lok Hu

In this and a companion paper we outline a general framework for the thermodynamic description of open chemical reaction networks, with special regard to metabolic networks regulating cellular physiology and biochemical functions. We first…

Chemical Physics · Physics 2014-10-22 Matteo Polettini , Massimiliano Esposito

Classical theories of chemical kinetics assume independent reactions in dilute solutions, whose rates are determined by mean concentrations. In condensed matter, strong interactions alter chemical activities and create inhomogeneities that…

Materials Science · Physics 2013-04-17 Martin Z. Bazant

We develop a framework describing the dynamics and thermodynamics of open non-ideal reaction-diffusion systems, which embodies Flory-Huggins theories of mixtures and chemical reaction network theories. Our theory elucidates the mechanisms…

Molecular Networks · Quantitative Biology 2024-12-05 Francesco Avanzini , Timur Aslyamov , Étienne Fodor , Massimiliano Esposito

Living systems operate out of equilibrium, continuously consuming energy to sustain organised, functional states. Their emergent behaviour usually relies on a set of interconnected chemical reaction networks (CRNs) driven by external fluxes…

Statistical Mechanics · Physics 2026-02-03 Shiling Liang , Paolo De Los Rios , Daniel Maria Busiello

We consider viscous, heat conducting mixtures of molecularly miscible chemical species forming a fluid in which the constituents can undergo chemical reactions. Assuming a common temperature for all components, we derive a closed system of…

Fluid Dynamics · Physics 2016-04-01 Dieter Bothe , Wolfgang Dreyer

In nonequilibrium chemical reaction systems, a fundamental relationship between unbalanced kinetic one-way fluxes and thermodynamic chemical driving forces is believed to exists. However this relation has been rigorously demonstrated only…

Chemical Physics · Physics 2020-07-22 Yongli Peng , Hong Qian , Daniel A. Beard , Hao Ge

We address a fundamental question: under which conditions do the dynamics and thermodynamics of open chemical reaction networks (CRNs), grounded on the notion of idealized chemostats that exchange selected species, emerge from underlying…

Statistical Mechanics · Physics 2026-04-17 Benedikt Remlein , Massimiliano Esposito , Francesco Avanzini

Living systems are forced away from thermodynamic equilibrium by exchange of mass and energy with their environment. In order to model a biochemical reaction network in a non-equilibrium state one requires a mathematical formulation to…

Molecular Networks · Quantitative Biology 2012-02-21 Ronan M. T. Fleming , Ines Thiele

The article sets forth comprehensive basics of thermodynamics of chemical equilibrium as balance of the thermodynamic forces. Based on the linear equations of irreversible thermodynamics, De Donder definition of the thermodynamic force, and…

Chemical Physics · Physics 2007-05-23 B. Zilbergleyt

Equilibrium is a rather ideal situation, the exception rather than the rule in Nature. Whenever the external or internal parameters of a physical system are varied its subsequent relaxation to equilibrium may be either impossible or take…

Statistical Mechanics · Physics 2016-10-04 Leticia F. Cugliandolo
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