Equilibrium chemical/thermodynamic

CET89, Chemical equilibrium thermodynamics code for evaluating shock parameters in explosive, chemically-reactive systems, NASA 1989. 

The mixture we have just described, even with a chemical reaction, must obey thermodynamic relationships (except perhaps requirements of chemical equilibrium). Thermodynamic properties such as temperature (T), pressure (p) and density apply at each point in the system, even with gradients. Also, even at a point in the mixture we do not lose the macroscopic identity of a continuum so that the point retains the character of the mixture. However, at a point or infinitesimal mixture volume, each species has the same temperature according to thermal equilibrium. 

Two of the fundamental questions of chemical reaction engineering are, given a set of reactive species and reaction conditions, (a) what will be the final (equilibrium) composition of the reaction mixture, and (b) how long will the system take to reach a specified state short of equilibrium The field of chemical equilibrium thermodynamics concerns itself with the first question, and chemical kinetics deals with the second. 

THE MIXED SOLVENT EFFECT ON THE CHEMICAL EQUILIBRIUM THERMODYNAMICS... 

Keywords Solar Energy, Chemical Equilibrium Thermodynamics, Tin Oxide, Alternative Fuels, Thermochemical Redox Reactions, Second Law Analysis... 

The mixed solvent effect on the chemical equilibrium thermodynamics... 

Thus, for ideal systems, both the constants of chemical equilibrium, thermodynamic and kinetic, have one and the same expression. Let us emphasize again that everything stated above is valid only for the elementary act of a chemical reaction. If reaction (2.1) is not an elementary act, but actually represents a scheme of sequential or parallel elementary acts, the kineti-cally and thermodynamically determined equilibrium constants may differ substantially. 

The two main developments in science that initiated industrial catalysis were the discoveries of catalytic hydrogenation by Paul Sabatier and the ammonia synthesis by Fritz Haber, which built upon the chemical equilibrium thermodynamics of Jacobus van t Hoff and the rate equation of Svante Arrhenius. Many processes, often based on catalytic hydrogenation, followed. Section 1.2 gives a historic review of the early developments in catalysis. Because of its pivotal role in the initiation of industrial catalysis, we devote an entire section to the development of the ammonia synthesis. 

When van t Hoff received his Nobel prize in 1901, the study of chemical equilibrium thermodynamics was almost complete. Kinetics, however, belongs to the field of non-equilibrium thermodynamics, a subject for which the principles still had to be formulated. The 1931 work of Lars Onsager marks the beginning of the linear non-equilibrium thermodynamics. This discipline provides a firm basis for the kinetics of the steady state, which applies to many catalytic processes. Onsager received the Nobel prize in 1968. Recently, oscillating reactions have... 

Chemical equilibrium thermodynamics provided the basis for the development of new catalytic processes in the beginning of this century. 

---