Instabilities in chemically reacting mixtures

Solutions for models of chemically reacting mixtures

The mathematical modeling of chemically reacting mixtures is investigated. The governing equations, that may be split between conservation equations, thermochemistry and transport fluxes, are presented as well as typical simplifications often encountered in the literature. The hyperbolic-parabolic structure of the resulting system of partial differential equations is analyzed using symmetrizing...

On the thermodynamics of chemically reacting fluid mixtures

On the Thermodynamics of Chemically Reacting Fluid Mixtures by Morton E. Gurtin This paper develops a thermodynamical theory of chemically reacting, but inviscid, fluid mixtures. Restrictions placed on the constitutive equations by the second law are found. in particular, it is shown that the stress-diffusion matrix is symmetric. ON THE THERMODYNAMICS OF CHEMICALLY REACTING FLUID MIXTURES by Mo...

Thermodynamic Analysis of Chemically Reacting Mixtures—Comparison of First and Second Order Models

Recently, a method based on non-equilibrium continuum thermodynamics which derives thermodynamically consistent reaction rate models together with thermodynamic constraints on their parameters was analyzed using a triangular reaction scheme. The scheme was kinetically of the first order. Here, the analysis is further developed for several first and second order schemes to gain a deeper insight ...

Reaction ensemble molecular dynamics: direct simulation of the dynamic equilibrium properties of chemically reacting mixtures.

A molecular simulation method to study the dynamics of chemically reacting mixtures is presented. The method uses a combination of stochastic and dynamic simulation steps, allowing for the simulation of both thermodynamic and transport properties. The method couples a molecular dynamics simulation cell (termed dynamic cell) to a reaction mixture simulation cell (termed control cell) that is for...

Implicit Methods for Computing Chemically Reacting Flow