The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise appr...

The evolution of (non-strange) antibaryon abundances in the hadronic phase of central heavy-ion collisions is studied within a thermal equilibrium framework, based on the well-established picture of subsequent chemical and thermal freezeout. Due to large annihilation cross sections, antiprotons are, a priori, not expected to comply with this scheme. However , we show that a significant regenera...

Chemical reaction systems operating in nonequilibrium open-system states arise in a great number of contexts, including the study of living organisms, in which chemical reactions, in general, are far from equilibrium. Here we introduce a theorem that relates forward and reverse fluxes and free energy for any chemical process operating in a steady state. This relationship, which is a generalizat...

Chemical reaction systems operating in nonequilibrium open-system states arise in a great number of contexts, including the study of living organisms, in which chemical reactions, in general, are far from equilibrium. Here we introduce a theorem that relates forward and reverse fluxes and free energy for any chemical process operating in a steady state. This relationship, which is a generalizat...

The Rate-Controlled Constrained-Equilibrium (RCCE) method for the description of the time-dependent behavior of dynamical systems in non-equilibrium states is a general, effective, physically based method for model order reduction that was originally developed in the framework of thermodynamics and chemical kinetics. A generalized mathematical formulation is presented here that allows including...

The quantitative convergence to equilibrium for reaction-diffusion systems arising from complex balanced chemical reaction networks with mass action kinetics is studied by using the so-called entropy method. In the first part of the paper, by deriving explicitly the entropy dissipation, we show that for complex balanced systems without boundary equilibria, each trajectory converges exponentiall...

A method based on fuzzy set theory is presented to incorporate imprecise thermodynamic parameters into chemical equilibrium calculations of aqueous systems. Imprecision may arise from uncertainties in experimental parameter determination as well as from inconsistency of available data in the literature. Fuzzy numbers with different shapes of membership functions are used to express imprecision ...

le chatelier's principle is used as a very simple way to predict the effect of a change in conditions on a chemical equilibrium. . however, several studies have reported the violation of this principle, still there is no reported simple mathematical equation to express the exact condition of violation in the gas phase reactions. in this article, we derived a simple equation for the violati...

A program package has been developed that calculates chemical equilibrium and thermodynamic properties of reactants and products of a combustion reaction between fuel and air. The package consists of the following four parts: 1) A program for calculating chemical equilibrium. 2) A database that contains thermochemical information about the molecules, which comes from the GRI-Mech tables. 3) A G...

We consider an ideal gas of massive hadrons in thermal and chemical equilibrium. The gas expands longitudinally in accordance with Bjorken law. Strangeness and baryon number conservation is taken into account. This gas has different features as compared to the pion gas. Let us consider a heavy ion collision which goes through the intermediate state of an hadronic matter being in the thermal and...