Use of Kinetic Parameters from Thermal Analysis for Balancing Free Energy of Activation Based on Calcite Decomposition

Andrzej Mianowski and Rafał Bigda ()
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Andrzej Mianowski: 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

Energies, 2025, vol. 18, issue 3, 1-23

Abstract: Based on the literature data, including our published paper on the thermal decomposition of solids, research regarding the possibility of balancing free energy of activation against Gibbs free energy was extended. The importance of nucleation accompanying the thermal decomposition reaction/process was established. For calcite, a symmetrical model was considered for the formation of the active state, followed by the formation into the solid, crystalline decomposition product CaO. When the decomposition is chemical in nature, we do not identify nucleation processes. This is determined by the forwards–backwards balance compatibility, and when an additional term appears, a reversible structural transformation is to be expected. An excess free energy model was proposed to determine the rate constant of activation. It is shown that the results of tests under dynamic conditions allow, with a good approximation, the determination of this quantity as tending towards a maximum rate constant equal to the Arrhenius pre-exponential factor. The solid product of the thermal decomposition of calcite is of great developmental importance, currently utilized for Calcium Looping (CaL) or for Carbon Capture and Storage (CCS) technologies using a reversible reaction of carbonation.

Keywords: solid state; rate constant; Transition-State Theory (TST); thermodynamics; free energy of activation; excess free energy; nucleation (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2025
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