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**24** 

Miloslav Pekař

*Czech Republic* 

are

*Brno University of Technology* 

**Thermodynamics and Reaction Rates** 

Thermodynamics has established in chemistry principally as a science determining possibility and direction of chemical transformations and giving conditions for their final, equilibrium state. Thermodynamics is usually thought to tell nothing about rates of these processes, their velocity of approaching equilibrium. Rates of chemical reactions belong to the domain of chemical kinetics. However, as thermodynamics gives some restriction on the course of chemical reactions, similar restrictions on their rates are continuously looked for. Similarly, because thermodynamic potentials are often formulated as driving forces for

Two such approaches will be discussed in this article. The first one are restrictions put by thermodynamics on values of rate constants in mass action rate equations. The second one is the use of the chemical potential as a general driving force for chemical reactions and also "directly" in rate equations. These two problems are in fact connected and are related to

Relationships between chemical thermodynamics and kinetics traditionally emerge from the ways that both disciplines use to describe equilibrium state of chemical reactions (chemically reacting systems or mixtures in general). Equilibrium is the main domain of classical, equilibrium, thermodynamics that has elaborated elegant criteria (or, perhaps, definitions) of equilibria and has shown how they naturally lead to the well known equilibrium constant. On the other hand, kinetics describes the way to equilibrium, i.e. the nonequilibrium state of chemical reactions, but also gives a clear idea on reaction equilibrium. Combining these two views various results on compatibility between thermodynamics and kinetics, on thermodynamic restrictions to kinetics etc. were published. The main idea can be illustrated on the trivial example of decomposition reaction AB = A + B with rate (kinetic) equation AB A B *r kc kc c* where *r* is the reaction rate, , *k k*

the forward and reverse rate constants, and *c* are the concentrations. In equilibrium, the

corresponds to the thermodynamic equilibrium constant (*K*) it is concluded that / *K kk* . However, this is simplified approach not taking into account conceptual differences between the true thermodynamic equilibrium constant and the ratio of rate constants that is called here the kinetic equilibrium constant. This discrepancy is sometimes to be removed by restricting this approach to ideal systems of elementary reactions but even then some

*k k cc c* / / . Because the right hand side

various processes, a thermodynamic driving force for reactions rates is searched for.

expressing reaction rate as a function of pertinent independent variables.

reaction rate is zero, consequently A B AB eq

**1. Introduction** 

questions remain.

flow. *Polymer*, Vol.44, No19, (September 2003), pp. 5843-5849, ISSN 0032-3861; doi: 10.1016/S0032-3861(03)00604-9


10.1002/(SICI)1099-0488(19980915)36:12<2025::AID-POLB2>3.0.CO;2-W

