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AKTS-Thermokinetics software
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Description
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Presenting
experimental data (TG, DTA, DSC, TMA, MS or FTIR) provided by an
AKTS customer and comparing with the calculated curves.
Example 1 (TG)
Example 2 (MS)
Example 3 (MS)
Example 4 (TG)
Example 5 (DTA)
Example 6 (TG stepwise)
Example 7 (DSC)
Example 8 (DSC)
Comments:
Adequate prediction of the investigated
reactions requires at least five thermoanalytical measurements
carried out with different heating rates, generally in the range of
1 to 20 K/min [1,2]. The scans obtained by any thermal technique (such
as e.g. TG, DTA, DSC, EGA, TMA), can be applied for the
calculations. The data should be collected under similar
experimental conditions because the kinetic parameters of
solid-state reactions are not intrinsic properties of an
investigated compound but can change depending on the experimental
conditions applied [3]. It is usually necessary to correct the
measuring values of the baseline for all differential signal types,
like DTA and/or DSC measurements. This is especially necessary when
the reaction is characterized by the large difference of the
specific heats of substrate and product. For DTA and/or DSC scans,
a tangential area-proportional baseline correction is carried out
during the calculations. AKTS-Thermokinetics software can be also used for the
elaboration of the results obtained by hyphenated techniques such
as TA-MS or TA-FTIR. The application of these techniques is widely
recognized for the characterization of the degradation of solids
[4]. In order to apply correctly the EGA signals for the
description of the kinetics of the decomposition of solids, the
interrelation between thermoanalytical and mass spectrometric
curves in the TA-MS and/or TA-FTIR system has to be known [5]. If the time lag between the thermoanalytical curve (e.g. DTG) and EGA
signal is negligible, the spectroscopic signal can be used not only
for the qualitative and quantitative [6] analysis of the gaseous
products but for the kinetic description of the process as well.
Applying the results obtained by the
above thermoanalytical techniques, AKTS-Thermokinetics software allows accurate
prediction of the reaction progress of materials in a broad
temperature range and under different temperature modes such as:
- isothermal, non-isothermal and stepwise
- modulated temperature or periodic temperature variations and
rapid temperature increase (temperature shock)
- real atmospheric temperature profiles for investigating
properties of low-temperature decomposed solids under different
climates (yearly temperature profiles with daily minimal and
maximal fluctuations)
- adiabatic (safety analysis)
[1] B. Roduit, Thermochim. Acta, 388 (2002) 377.
[2] B. Roduit, Thermochim. Acta, 355
(2000) 171.
[3] B. Roduit, M. Maciejewski and A. Baiker, Thermochim. Acta,
282/283 (1996) 101.
[4] K.G.H. Raemaekers, J.C.J. Bart, Thermochim. Acta, 295 (1997) 1.
[5] B. Roduit, J. Baldyga, M. Maciejewski and A. Baiker, Thermochim.
Acta, 295 (1997) 59.
[6] M.Maciejewski, C.A. Müller, R. Tschan, W.-D. Emmerich, A.
Baiker, Thermochim. Acta, 295 (1997) 167.
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Benefits
