Travelling waves in a mixture of gases with bimolecular reversible reactions

Starting from the kinetic approach for a mixture of reacting gases whose particles interact through elastic scattering and a bimolecular reversible chemical reaction, the equations that govern the dynamics of the system are obtained by means of the relevant Boltzmann-like equation. Conservation laws are considered. Fluid dynamic approximations are used at the Euler level to obtain a close set of PDEs for six unknown macroscopic fields. The dispersion relation of the mixture of reacting gases is explicitly derived in the homogeneous equilibrium state. A set of ODE that governs the propagation of a plane travelling wave is obtained using the Galilei invariance. After numerical integration some solutions, including the well-known Maxwellian and the hard spheres cases, are found for various meaningful interaction laws. The main macroscopic observables for the gas mixture such as the drift velocity, temperature, total density, pressure and its chemical composition are shown.Comment: 13 pages, 2 figures, accepted on Physica

On the kinetic systems for simple reacting spheres : modeling and linearized equations

Series: Springer Proceedings in Mathematics & Statistics, Vol. 75In this work we present some results on the kinetic theory of chemically reacting gases, concerning the model of simple reacting spheres (SRS) for a gaseous mixture undergoing a chemical reaction of type A1 +A2 A3 +A4. Starting from the approach developed in paper [11], we provide properties of the SRS system needed in the mathematical and physical analysis of the model. Our main result in this proceedings provides basic properties of the SRS system linearized around the equilibrium, including the explicit representations of the kernels of the linearized SRS operators.Fundação para a Ciência e a Tecnologia (FCT), PEst-C/MAT/UI0013/2011, SFRH/BD/28795/200

Analysis of the Reaction Rate Coefficients for Slow Bimolecular Chemical Reactions

Simple bimolecular reactions $A_1+A_2\rightleftharpoons A_3+A_4$ are analyzed within the framework of the Boltzmann equation in the initial stage of a chemical reaction with the system far from chemical equilibrium. The Chapman-Enskog methodology is applied to determine the coefficients of the expansion of the distribution functions in terms of Sonine polynomials for peculiar molecular velocities. The results are applied to the reaction $H_2+Cl\rightleftharpoons HCl+H$, and the influence of the non-Maxwellian distribution and of the activation-energy dependent reactive cross sections upon the forward and reverse reaction rate coefficients are discussed.Comment: 11 pages, 5 figures, to appear in vol.42 of the Brazilian Journal of Physic

On modified simple reacting spheres kinetic model for chemically reactive gases

Versão dos autores para esta publicação.We consider the modiffed simple reacting spheres (MSRS) kinetic model that, in addition to the conservation of energy and momentum, also preserves the angular momentum in the collisional processes. In contrast to the line-of-center models or chemical reactive models considered in [1], in the MSRS (SRS) kinetic models, the microscopic reversibility (detailed balance) can be easily shown to be satisfied, and thus all mathematical aspects of the model can be fully justi ed. In the MSRS model, the molecules behave as if they were single mass points with two internal states. Collisions may alter the internal states of the molecules, and this occurs when the kinetic energy associated with the reactive motion exceeds the activation energy. Reactive and non-reactive collision events are considered to be hard spheres-like. We consider a four component mixture A, B, A*, B*, in which the chemical reactions are of the type A + B = A* + B*, with A* and B* being distinct species from A and B. We provide fundamental physical and mathematical properties of the MSRS model, concerning the consistency of the model, the entropy inequality for the reactive system, the characterization of the equilibrium solutions, the macroscopic setting of the model and the spatially homogeneous evolution. Moreover, we show that the MSRS kinetic model reduces to the previously considered SRS model (e.g., [2], [3]) if the reduced masses of the reacting pairs are the same before and after collisions, and state in the Appendix the more important properties of the SRS system.Fundação para a Ciência e a Tecnologi