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Solid-state reactions from isothermal heat conduction microcalorimetry theoretical approach and evaluation via simulated data

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Abstract

Several recent publications from this laboratory have reported developments in the capacity to calculate thermodynamic and kinetic parameters, such as rate constant, enthalpy, order of reaction, from isothermal micro-calorimetric data. To date these developments have all been associated with the calculation of the desired parameters from solution phase reactions. This paper furthers these developments to a theoretical consideration of solid-state reactions and the calculation of the values for the rate coefficient, k, the fitting parameters m and n, the total number of joules released over the lifetime of reaction, Q, and hence either the specific enthalpy or the molar enthalpy of reaction, H.

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Authors and Affiliations

  1. Medway Sciences, University of Greenwich at Medway Medway University Campus, Kent, ME4 4TB, UK

    M. A. A. O'Neill, A. E. Beezer, A. C. Morris & J. A. Connor

  2. Takeda Chemical Industries Ltd, 2-17-85 Jusohonmachi, Yodogawa-ku, Osaka, 532-8686, Japan

    K. Urakami

  3. GlaxoSmithKline Consumer Healthcare, St.George's Avenue, Weybridge, Surrey, KT, 13 0DE, UK

    R. J. Willson

Authors
  1. M. A. A. O'Neill
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  2. A. E. Beezer
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  3. A. C. Morris
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  4. K. Urakami
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  5. R. J. Willson
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  6. J. A. Connor
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O'Neill, M.A.A., Beezer, A.E., Morris, A.C. et al. Solid-state reactions from isothermal heat conduction microcalorimetry theoretical approach and evaluation via simulated data. Journal of Thermal Analysis and Calorimetry 73, 709–714 (2003). https://doi.org/10.1023/A:1025406903009

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  • DOI: https://doi.org/10.1023/A:1025406903009

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