Application of thermokinetics for the determination of the behaviour of Purbond HCM
B. Roduit (1), Ch. Borgeat(1), W. Schwotzer(2), A. Schulthess(2), B. Alonso(3) and J.N. Aebischer(3)
(1) Advanced Kinetics and Technology Solutions AKTS AG, TECHNO-Pôle, CH-3960 Siders
(2) Collano AG, CH-6203 Sempach-Station
(3) University of Applied Sciences of Western Switzerland, CH-1705 Fribourg
Several methods have been presented for predictions of the reaction progress of solid state reactions under any temperature profile. However, because decomposition reactions usually have a multi-step nature, the accurate determination of the kinetic characteristics strongly influences the ability to correctly describe the progress of the reaction [1-3]. In the present study, it is discussed how advanced numerical techniques can be applied for the interpretation of the measured DSC signals for the prediction of the behaviour of Purbond HCM systems. In general, the signals can be used not only for the qualitative and quantitative analysis but for the kinetic description and analysis of the process as well. The main challenge is the prediction of the reactivity of Purbond HCM both in extended temperature ranges and at the temperature conditions for which experimentation is difficult or impossible. These difficulties are prevalent at low temperatures (requiring very long investigation times), as well as under specific temperature fluctuations. The goal of this advanced numerical approach is:
- a deeper insight into the reaction course of Purbond HCM
- a complete sensitivity analysis of the reactivity of the Purbond HCM system
- an early detection of the stability/reactivity of any composition for fast screening
More generally, the main goal of AKTS-Thermokinetics Software Package [1] is to facilitate the kinetic analysis of any type of thermoanalytical data (DSC, DTA, TGA, TG-MS or TG-FTIR) for the study of raw materials and products within the scope of research, development and quality assurance. The technique provides a means to infer additional characteristics and behaviour of examined substances based on conventional thermoanalytical measurements. The method begins with the determination of the kinetic parameters for a given substance. These parameters are then used to predict reaction progress under various temperature ranges and conditions. By comparison, direct investigation of such reactions would be very difficult at low temperatures (requiring very long times), as well as under complex temperature profiles. Using AKTS-Thermokinetics Software, the rate and the progress of the reactions can be predicted for the following temperature profiles: isothermal, non-isothermal, stepwise, modulated temperature or periodic temperature variations, rapid temperature increase (temperature shock), real atmospheric temperature profiles (up to 7000 climates) and even for adiabatic conditions.
During the lecture, on-line calculations using AKTS-Thermokinetics Software and AKTS-Thermal Safety Software will illustrate the kinetic and FEM application for thermal ageing and sensitivity analysis of Purbond HCM as a model reaction.
1.Advanced Kinetics and Technology Solutions: (AKTS-Thermokinetics software and AKTS-Thermal Safety software)
2. Collano AG, internal report on Purbond HCM, Advanced Thermokinetic Analysis Applied to Differential Scanning Calorimetry (DSC) Measurements of Purbond HCM, July-August 2004.
3.B. Roduit, Computational Aspects of Kinetic Analysis. Part E. The ICTAC Kinetics Project - Numerical Techniques and Kinetics of Solid State Processes. Thermochim. Acta, 355/1-2 (2000) 171-180.