Abstract
The results of analysis and refinement of phenomenological models for unimolecular reactions proceeding homogeneously in the bulk of undistorted crystal lattice or localized on the lattice defects are presented. It is shown that, within the framework of these models, the ratio of the rate constants for reactions in the liquid and solid phases, K = k l/k s, can be calculated with satisfactory accuracy and thus the known k l values can be used to predict the rate constant k s characterizing the stability of the materials.
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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1417–1424, July, 2011.
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Manelis, G.B., Nazin, G.M. & Prokudin, V.G. Models for unimolecular reactions in the solid phase and stability prediction of energetic compounds in the condensed state. Russ Chem Bull 60, 1440–1447 (2011). https://doi.org/10.1007/s11172-011-0215-7
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DOI: https://doi.org/10.1007/s11172-011-0215-7