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179. ACTEN: Arrhenius Activation Energies and
Frequency Factors
by Robert W. Crossley and Ernest A. Dorko, Air Force Institute of Technology, Wright-Patterson Air Force Base, Dayton, Ohio 45433 This program evaluates and displays sums of squares of the Arrhenius equation in both exponential and logarithmic forms over selected ranges of the Arrhenius parameters. The program iteratively constricts the search ranges to minimize the sums of squares. The program is capable of handling ill-conditioned sum-of- squares surfaces, and these surfaces can be examined in any level of detail desired. The earlier version of this program could handle only the Arrhenius expression for rate constants. The new version can handle concentration dependencies as well as the positive form of the exponential term. FORTRAN IV Lines of Code: 389 Recommended Citation: R. W. Crossley and E. A. Dorko, QCPE 11, 179 (1971). |