Direct Determination of Equilibrium Thermodynamic and Kinetic Parameters from Isothermal Heat Conduction Microcalorimetry
| Autor: | JA Connor, Richard J. Willson, Anthony E. Beezer, Andrew K. Hills, Michael A. A. O'Neill, Andrew C. Morris, and John C. Mitchell |
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| Rok vydání: | 2001 |
| Předmět: | |
| Zdroj: | The Journal of Physical Chemistry B. 105:1212-1215 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/jp003539s |
| Popis: | Calorimetry is recognized1-8 as a noninvasive, nondestructive method for the determination of both the thermodynamic and the kinetic parameters associated with chemical reactions. The most immediate applications of the technique have been found in the determination of long-term stability data particularly for pharmaceuticals. However, the methods proposed required that calorimetric data (thermal power, Φ, watts recorded as a function of time) be analyzed iteratively to obtain the order of the reaction n, the rate constant k, and the enthalpy change of reaction ΔRH. A necessary assumption in this process was that all of the sample placed into the calorimeter would react. This is obviously a severe constraint for the flexibility and application of the method. This paper reports a significant extension of the procedure that allows direct calculation of all of the above parameters. Moreover, the equations that are developed permit the determination of the actual quantity of the sample placed into the calorime... |
| Databáze: | OpenAIRE |
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