Enskog’s kinetic theory of dense gases for chemically reacting binary mixtures. I. Reaction rate and viscosity coefficients

Silva, Adriano W.; Alves, Giselle M.; Kremer, Gilberto M.

doi:10.1016/j.physa.2007.11.023

Cited by 5 publications

(1 citation statement)

References 33 publications

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“…It is important to call attention to the fact that for chemical reactions with activation energies, both coefficients of shear viscosity and thermal conductivity decrease for endothermic as well as for exothermic reactions (see e.g. [31], [32], [33], [34]).…”

Section: Resultsmentioning

confidence: 99%

A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

Alves¹,

Kremer²,

Marques³

et al. 2011

J. Stat. Mech.

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The kinetic model of the Boltzmann equation proposed in the work [1] for a binary mixture undergoing chemical reactions of symmetric type which occur without activation energy is revisited here, with the aim of investigating in detail the transport properties of the reactive mixture and the influence of the reaction process on the transport coefficients. Accordingly, the non-equilibrium solution of the Boltzmann equation is determined through an expansion in Sonine polynomials up to the first order, using the Chapman-Enskog method, in a chemical regime for which the reaction process is close to its final equilibrium state. The non-equilibrium deviations are explicitly calculated for what concerns the thermal-diffusion ratio and coefficients of shear viscosity, diffusion and thermal conductivity. The theoretical and formal analysis developed in the present paper is complemented with some numerical simulations performed for different concentrations of reactants and products of the reaction as well as for both exothermic and endothermic chemical processes. The results reveal that chemical reactions without energy barrier can induce an appreciable influence on the transport properties of the mixture. Oppositely to the case of reactions with activation energy, the coefficients of shear viscosity and thermal conductivity become larger than those of an inert mixture when the reactions are exothermic. An application of the non-barrier model and its detailed transport picture is included in this paper, in order to investigate the dynamics of the local perturbations on the constituent number densities, and velocity and temperature of the whole mixture, induced by spontaneous internal fluctuations. It is shown that for the longitudinal disturbances there exist two hydrodynamic sound modes, one purely diffusive hydrodynamic mode and one kinetic mode.

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Section: Resultsmentioning

confidence: 99%

A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

Alves¹,

Kremer²,

Marques³

et al. 2011

J. Stat. Mech.

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Analysis of the Reaction Rate Coefficients for Slow Bimolecular Chemical Reactions

Kremer

Silva

2012

Braz J Phys

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Simple bimolecular reactions A1 + A2 ⇋ A3 + A4 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 H2 +Cl ⇋ 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. * Dedicated to Professor I-Shih Liu on the occasion of his 70th birthday. †

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Enskog’s kinetic theory of dense gases for chemically reacting binary mixtures, II: Light scattering and sound propagation

Silva

Alves

Marques

et al. 2009

Physica A: Statistical Mechanics and its Applications

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Enskog’s kinetic theory of dense gases for chemically reacting binary mixtures. I. Reaction rate and viscosity coefficients

Cited by 5 publications

References 33 publications

A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

Analysis of the Reaction Rate Coefficients for Slow Bimolecular Chemical Reactions

Enskog’s kinetic theory of dense gases for chemically reacting binary mixtures, II: Light scattering and sound propagation

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