论文信息 - Analysis of non-isothermal kinetic measurements

Analysis of non-isothermal kinetic measurements

Abstract A computer algorithm is proposed for the numerical analysis of non-isothermal kinetic measurements. There are no inherent limitations with respect to the complexity of the reaction mechanism and the temperature profile. The kinetic differential equations are expanded to take into account temperature variation. Numerical integration is performed, using higher order Runge-Kutta or Gear algorithms. The results of the analysis are the activation parameters of the rate-constants. The reversible, acid catalyzed esterification of cyanoacetic acid in ethanol served as a test. The activation parameters for esterification and hydrolysis reactions were determined and confirmed by classical analysis.

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