NETZSCH-Gerätebau GmbH
Wittelsbacherstrasse 42
D-95100 Selb/Bavaria
Phone: (+49) 9287/881-110
Fax: (+49) 9287/881-505
E-mail: at@netzsch.com
www.netzsch-thermal-analysis.com
|
|
Overview
The Program is the software module for the kinetic evaluation of
measurements with reactions in homogeneous mixtures, but reactions
on the phase interfaces are not included. Different data types can
be evaluated; as long as they show distinct correlations to concentrations changes of the reactants.
|
- thermogravimetry (TGA),
- differential scanning calorimetry (DSC, DTA),
- mass spectrometry (MS),
|
|
The kinetic analysis allows the determination of the most probable reaction model as the sum of elementary reactions, the determination of the pre-exponential factor and activation energy for elementary reactions and then the prediction and optimization of the reaction behaviour for any temperature conditions. |
|
|
| |
| The general interface to measurement data are ASCII files. In the program Component Kinetics the various methods of kinetic analysis and of predictions are integrated. |
| |
| The predictions using the most probable kinetic model are assured only inside the tested ranges of time, temperature and concentrations, extrapolation can bring deviation from the real behaviour. Therefore the collective evaluation of isothermal and dynamic measurement data with the greatest possible range of heating rates and initial concentrations of reagents is not only wish-ful, but strong recommended. This is considered by Component Kinetics. |
| |
Application fields
- All fields of chemistry, biochemistry, material sciences
- Fundamental research, applied research, process optimization and process con-trol
Verification of the program
For the following simple and complex mechanisms, important in chemistry, the results for heat flow and concentration were simulated by independent software:
- Consecutive reactions
- Competitive and independent parallel reactions
- Equilibrium reactions
- Combination of these basic types
In all cases the calculation was started with initial values of kinetic parameters having very big deviation from known results (and with big deviations of reaction enthalpy in case of heat flow curves). Neverthe-less, after calculation the expected values have been obtained and the observed deviation have been in the range of some tenth of a percent.
Thus here is the proof, that component kinetics is a valuable and reliable tool with the determina-tion of the model parameters and forecasts based on it. If the mechanism is unknown component kinetics can help to find the most probable reaction mechanism.
|
|
Component Kinetics
back