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Computation in kinetics I. A general program KILET for simulation and evaluation of kinetic experimental data in multicomponent systems

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Abstract

A general regression program KILET written in FORTRAN IV for an IBM PC and other computers (MV 4000 Eclipse and EC 1033) enables (i) to model multicomponent kinetic data (ii) to load the smooth curves with random noise of required level (iii) to evaluate rate constants and/or simultaneously concentrations. Complete statistical analysis of residuals is performed. The program can be used for the discrimination of chemical kinetic models and for analytical purposes.

Abstract

Основная регрессионная программа KILET, написанная на языке FORTRAN IV для ЭВМ типа IBM PC и других (MV 4000 Eclipce и EC 1033), позволяет 1) моделировать многокопонентные кинетические данные, 2) загружать гладкие кривые со статистическим шумом требуемого уровня, 3) определять константы скорости и/или одновременно кондентрации. Проведен полный статистический анализ остатков. Программа может быть использована для дискриминации химических кинетических моделей и для аналитических делей.

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Authors and Affiliations

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

    José Luis González

  2. Research Institute of Pure Chemicals, Lachema n.p. Brno, Karásek 28, Brno, Czechoslovakia

    Jirí Dusek

  3. Department of Analytical Chemistry, J.E. Purkyne University, Kotlárská 2, 611 37, Brno, Czechoslovakia

    Josef Havel

Authors
  1. José Luis González
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  2. Jirí Dusek
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  3. Josef Havel
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González, J.L., Dusek, J. & Havel, J. Computation in kinetics I. A general program KILET for simulation and evaluation of kinetic experimental data in multicomponent systems. React Kinet Catal Lett 38, 385–393 (1989). https://doi.org/10.1007/BF02062136

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  • DOI: https://doi.org/10.1007/BF02062136

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