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

ABSTRACT: 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 into the thermodynamic consistency of rate equations and relationships between chemical thermodynamic and kinetics. It is shown that the thermodynamic constraints on the so-called proper rate coefficient are usually simple sign restrictions consistent with the supposed reaction directions. Constraints on the so-called coupling rate coefficients are more complex and weaker. This means more freedom in

SUBMITTER: Pekar M 

PROVIDER: S-EPMC5838023 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature