Nonlinear response theory in chemical kinetics

Reduced Models in Chemical Kinetics via Nonlinear Data-Mining

The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result, reactive flow solvers with detailed chemistry often become intractable even for large clusters of CPUs, especially when dealing with direct numerical simulat...

Theory of the Kinetics of Chemical Potentials in Heterogeneous Catalysis

Delayed Response in Tracer Experiments and Fragment-Carrier Approach to Transit Time Distributions in Nonlinear Chemical kinetics

A delayed response tracer experiment is suggested, based on the following constraints: (1) The kinetics of the process can be expressed by local evolution equations without delays, for example by the mass action law. (2) The kinetic isotope effect can be neglected, that is, the rate coefficients for labeled and unlabeled chemicals are the same. (3) The total fluxes of the various chemicals are ...

Time-Dependent Statistical Mechanics 10. Classical theory of chemical kinetics

One of the most recent applications of classical linear response theory is to Lecture 7 10/13/09 the theory of chemical reaction rate constants, although this is one of the more important and interesting applications of time dependent statistical mechanics, from a chemistry point of view. At first glance it looks like an unusual and unphysical way of constructing a theory, but in fact it is valid.

Chemical Kinetics in Cold Plasmas