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Elements of Transition-State Theory in Relation to the Thermal Dissociation of Selected Solid Compounds

Author

Listed:
  • Andrzej Mianowski

    (Institute of Energy and Fuel Processing Technology, Zamkowa 1, 41-803 Zabrze, Poland)

  • Tomasz Radko

    (Institute of Energy and Fuel Processing Technology, Zamkowa 1, 41-803 Zabrze, Poland)

  • Rafał Bigda

    (Institute of Energy and Fuel Processing Technology, Zamkowa 1, 41-803 Zabrze, Poland)

Abstract

An analysis was carried out on the thermal dissociation of selected inorganic salts according to Transition-State Theory (TST). For this purpose, two possibilities were compared in the context of rate constants: in the first case using the Arrhenius constant directly from TST, and in the second, using the thermodynamic equilibrium constant of the reaction/process of active state formation. The determined relationships are presented in the form of temperature profiles. It was established that TST applies to reactions for which there is a formally and experimentally reversible reaction, in the literal sense or catalytic process. The importance of the isoequilibrium temperature, which results from the intersection of the thermodynamic temperature profile and the Gibbs free energy of activation, was demonstrated. Its values close to the equilibrium temperature are indicative of more dynamic kinetic qualities. As part of the discussion, the Kinetic Compensation Effect (KCE) was used to observe changes in the entropy of activation by comparing two kinetic characteristics of the same reaction. Enthalpy–Entropy Compensation (EEC) was shown to be the same law as KCE, just expressed differently. This was made possible by TST, specifically the entropy of activation at isokinetic temperature, by which the perspective of the relationship of energy effects changes.

Suggested Citation

  • Andrzej Mianowski & Tomasz Radko & Rafał Bigda, 2024. "Elements of Transition-State Theory in Relation to the Thermal Dissociation of Selected Solid Compounds," Energies, MDPI, vol. 17(11), pages 1-26, May.
    • Handle: RePEc:gam:jeners:v:17:y:2024:i:11:p:2669-:d:1405869
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    References listed on IDEAS

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    1. Sun, Ce & Tan, Haiyan & Zhang, Yanhua, 2023. "Simulating the pyrolysis interactions among hemicellulose, cellulose and lignin in wood waste under real conditions to find the proper way to prepare bio-oil," Renewable Energy, Elsevier, vol. 205(C), pages 851-863.
    2. Yin, Cangtao & Du, Jiulin, 2014. "The power-law reaction rate coefficient for an elementary bimolecular reaction," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 395(C), pages 416-424.
    3. Andrzej Mianowski & Tomasz Radko & Rafał Bigda, 2023. "Isokinetic and Compensation Temperature in the Analysis of Thermal Dissociation of the Solid Phase under Dynamic Conditions," Energies, MDPI, vol. 16(15), pages 1-28, July.
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    Cited by:

    1. Andrzej Mianowski & Rafał Bigda, 2025. "Use of Kinetic Parameters from Thermal Analysis for Balancing Free Energy of Activation Based on Calcite Decomposition," Energies, MDPI, vol. 18(3), pages 1-23, January.

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