Rate-Constant Models

Calculated Rate Constants (Model II) for Ethyl Radical Decomposition C2H6 — C2H4 + H... 

With this demonstration that the kinetics of the phenolysis reaction are second order in nature, an Arrhenius rate constant model... 

Lignin Sulfonate in Phenol (61.5%) using the Arrhenius Rate Constant Model (15)... 

This value of the activation energy, together with the corrected rate constants for each temperature, was employed to evaluate the pre-exponential constant, k0, in the Arrhenius rate constant model. The value thus derived was... 

In addition to the form of the rate expression, the magnitude of the rate constant must be ascertained. As indicated in the discussion, the composition of the aqueous media can exert a strong control on the rate constant. Modeling of kinetic rates, therefore, can be considerably complicated, as in closed ground-water recharge systems where the aqueous composition would be expected to continually vary along the flow path. 

Because two low-lying F0 levels are available for the Co(NH3)g species in both the initial and final states of the reaction, the usual 2-state rate constant model for activated electron transfer (i.e., one initial and one final state) must be generalized as follows ... 

The rate-constant models considered below depend ultimately on the Hamiltonian adopted for the DBA system of interest ... 

We now consider specific TST rate-constant models, taking explicit account of nuclear coordinates, Q, and wavefunctions, (see Section 1.3.1 of this chapter), so as to be able to include nuclear tunneling when necessary. 

Matching of phenomenological and theoretical rate constant models... 

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