ISSN:
0001-1541
Keywords:
Chemistry
;
Chemical Engineering
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Process Engineering, Biotechnology, Nutrition Technology
Notes:
The methods of relating parameters in the Arrhenius rate equation to fundamental molecular properties are briefly reviewed. The limited applicability of purely theoretical methods is noted, the use and limitations of the standard semiemprical method are surveyed, and recent work based on empirical molecular structure and spectroscopy is described in detail. The recent method makes no attempt to calculate activation energy, but within a limited range of cases it does provide a reliable method of estimating the preexponential factor in the Arrhenius equation and calculating the kinetic isotope effect. In this way the method provides a check on the credibility of experimental data and on the assignment of mechanism. If the mechanism is correct, it provides a method of estimating activation energy from rate data taken at only one temperature. Further developments of this method are anticipated.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/aic.690050306
