The Program is the software module for the kinetic evaluation of measurements with reactions in homogeneous mixtures. The total process is presented as the sum of elementary reactions. The software determines the pre-exponential factor and activation energy for each elementary reaction and makes the prediction and optimization of the reaction behaviour for any temperature conditions and for any initial concentration of reactants, including the presence of solvent.
CPD: Cyclopentadien, DCPD: Dicyclopentadien
(Combination of a reaction of the 2nd order, a autocatalyzed reaction of the 2nd order and a reversible reaction of the 1st order)
Formulation of the model in the software:
Input of the molar masses and densities (global characteristics of all measurements)
Input of the initial masses and/or - concentrations (local characteristic of each measure
ment)
Comparison of the measured data (symbols) and the calculated curves
perfect adjustment of the model to all curves
clearly visible reverse reaction at higher temperatures