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Computation in kinetics, IV. Regression estimation of Arrhenius equation parameters from non-isothermal kinetic data

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Abstract

Computer method for evaluation of Arrhenius equation parameters from non-isothermal kinetic data is offered in KILET program. Changes of temperature can be linear, hyperbolic or of any smooth function which could be expressed by a polynomial of up to 4th degree. The method is demonstrated on examples of linear and hyperbolic changes for simulated and experimental data. The advantage of non-isothermal experiment over isothermal one for evaluation of kinetic solution data is stressed.

Abstract

Вычислительный метод определения параметров уравнения Аррениуса из неизотермических кинетических данных предложен в программе KILET. Изменения температуры могут бытй линейными, гиперболическими или могут быть описаны любой плавной функцией, изображаемой полиномом вплотй до 4-ой степени. Метод продемонстрирован на примерах линейных и гиперболических изменений для симулированных и экспериментальных данных. Определение кинетических результатов в неизотермических экспериментах имеет преимущества перед изотермическими экспериментами.

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Author notes

  1. Josef Havel

    Present address: Department of Analytical Chemistry, College of Science, J. E. Purkyne University, Kotlarska 2, 611 37, Brono, Czechoslovakia

Authors and Affiliations

  1. Department of Physical Chemistry, Faculty of Chemistry, Salamanca University, E-37008, Salamanca, Spain

    Jose Luis Gonzalez & Josef Havel

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  1. Jose Luis Gonzalez
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  2. Josef Havel
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Gonzalez, J.L., Havel, J. Computation in kinetics, IV. Regression estimation of Arrhenius equation parameters from non-isothermal kinetic data. React Kinet Catal Lett 39, 147–153 (1989). https://doi.org/10.1007/BF02061869

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  • DOI: https://doi.org/10.1007/BF02061869

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