Showing papers on "Mass action law published in 2016"

Exponential decay towards equilibrium and global classical solutions for nonlinear reaction–diffusion systems

Abstract: We consider a system of reaction–diffusion equations describing the reversible reaction of two species $${\mathcal{U}}$$ , $${\mathcal{V}}$$ forming a third species $${\mathcal{W}}$$ and vice versa according to mass action law kinetics with arbitrary stoichiometric coefficients (equal or larger than one). Firstly, we prove existence of global classical solutions via improved duality estimates under the assumption that one of the diffusion coefficients of $${\mathcal{U}}$$ or $${\mathcal{V}}$$ is sufficiently close to the diffusion coefficient of $${\mathcal{W}}$$ . Secondly, we derive an entropy entropy-dissipation estimate, that is a functional inequality, which applied to global solutions of these reaction–diffusion systems proves exponential convergence to equilibrium with explicit rates and constants.

Calculation of 2-temperature plasma thermo-physical properties considering condensed phases: application to CO2–CH4 plasma: part 1. Composition and thermodynamic properties

Abstract: As the first part of this series of papers, a new calculation method for composition and thermodynamic properties of 2-temperature plasma considering condensed species under local chemical equilibrium (LCE) and local phase equilibrium assumption is presented. The 2-T mass action law and chemical potential are used to determine the composition of multiphase system. The thermo-physical properties of CO2–CH4 mixture, which may be a possible substitution for SF6, are calculated by this method as an example. The influence of condensed graphite, non-LTE effect, mixture ratio and pressure on the thermo-physical properties has been discussed. The results will serve as reliable reference data for computational simulation of CO2–CH4 plasmas.

Calculation of the High-Temperature Point Defects Structure in Te-Rich CdTe

Abstract: A thermodynamic equilibrium model for CdTe annealed under Te vapor is established, in which possible point defects and a defect reaction existing in undoped and In-doped Te-rich CdTe crystals are taken into consideration. Independent point defects, such as VCd, Cdi, and Tei, as well as defect complexes, namely TeCd-VCd (B complex), \( {\hbox{Te}}_{\rm{Cd}}^{2 + } \)-\( {\hbox{V}}_{\rm{Cd}}^{2 - } \) (D complex), \( {\hbox{In}}_{\rm{Cd}}^{ + } \)-\( {\hbox{V}}_{\rm{Cd}}^{ - } \) (A-center) and Tei-VCd (TeCd), are discussed based on the defect chemistry theory. More specially, the mass action law and quasi-chemical equations are used to calculate defects concentration and Fermi level in undoped and doped CdTe crystals with different indium concentrations. It is found that the Fermi level is controlled by a \( {\hbox{V}}_{\rm{Cd}}^{2 - } \), TeCd, and B/D-complex in undoped crystal. The concentration of VCd drops down in an obvious manner and that of TeCd rises for doped crystal with increasing [In].

Effects of nonparabolic band structure on intrinsic carrier concentration in In0.53Ga0.47As

Abstract: This paper describes the effects of the nonparabolic band structure on the intrinsic carrier concentration in In0.53Ga0.47As. In order to investigate the effects of the nonparabolic band structure on the intrinsic carrier concentration, we calculated the temperature dependence of the relative error of the intrinsic carrier concentration given by the nonparabolic and parabolic band structure of the conduction band in In0.53Ga0.47As. It is found that it is essential to consider nonparabolicity of the band structure of the conduction band to obtain the more accurate value of the intrinsic carrier concentration in In0.53Ga0.47As.