Reaction Kinetics and Rate Constants

Essentials of Computational Chemistry, 2nd Edition Christopher J. Cramer 2004 John Wiley Sons, Ltd ISBNs 0-470-09181-9 (cased) 0-470-09182-7 (pbk) 

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The second stage, which involves the determination and the estimation of "process specific data", such as solubilities and diffusivities, reaction kinetics and rate constants, is highly specific and has to be obtained for each system at the prescribed conditions. Some of these data, such as relevant kinetics and the equilibrium constants etc., may in fact be measured but this is as laborious task. Even more difficult is the estimation of quantities which cannot be measured directly, particularly the solubility and diffusivity of the dissolved gas ip a solution with which it reacts. 

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