Development and evaluation of a new screening workflow for the determination of the self-accelerating decomposition temperature of solids
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Autor:innen
Wegmann, Kai
Autor:in (Körperschaft)
Publikationsdatum
26.10.2021
Typ der Arbeit
Studiengang
Typ
06 - Präsentation
Herausgeber:innen
Herausgeber:in (Körperschaft)
Betreuer:in
Übergeordnetes Werk
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Zusammenfassung
According to the UN (United Nations) recommendations for the transport of dangerous goods self reactive substances need to be identified and classified with a suitable temperature for
transportation, the so-called self-accelerating decomposition temperature (SADT). Several test
methods (H.1-H.4) are suggested by the UN for the determination of the SADT1. The suggested
tests are inappropriate for many practical situations as they require a large amount of test substance, a significant experimental effort and the tests are hazardous with regard to laboratory safety2. Thus, the quantity of performed tests should be reduced to an absolute minimum. This is achievable if these tests could be limited to critical substances that are expected to have an SADT value below the 75 °C threshold for a 50 kg package, as defined by the UN. Hence, the development of a screening workflow, which is able to identify such critical substances is required.
Such screening methods already exist, but they are often based on a single calorimetric principle
and were not validated consequently. Here we present a new screening workflow to determine the
SADT, by combining accelerating rate calorimetry (ARC) and differential scanning calorimetry
(DSC). The experimental data were evaluated using nth-order kinetic combined with the Semenov model. The results of this screening workflow are validated for twelve solid compounds with data obtained from the H.2-adiabatic storage tests. The H.2-adiabatic storage tests were performed by an iso-certified reference laboratory. All of the twelve evaluated solid compounds were accurately categorized above or below the 75 °C threshold value. Furthermore, the new screening workflow identifies and flags substances with potentially autocatalytic decomposition kinetics. To our knowledge, we offer the first free, validated, standalone ready-to-use screening workflow for the categorization of solid compounds according to the 75 °C SADT threshold value. The workflow is implemented in MATLAB with an open source code. This enables further validation
and development of this workflow towards a best practice method for the categorization of
substances according to the 75 °C SADT threshold value.
Schlagwörter
Self-Accelerating Decomposition Temperature, SADT, Differential Scanning Calorimetry, DSC, Accelerating Rate Calorimetry, ARC, nth-order Kinetics, Semenov-model, MATLAB
Fachgebiet (DDC)
Veranstaltung
The 46th Annual Meeting of STK 2021, was held on October 26th 2021 in HEIA-FR Fribourg, and was mainly focused on "Thermal Analysis and Thermal Safety"
Startdatum der Ausstellung
Enddatum der Ausstellung
Startdatum der Konferenz
26.10.2021
Enddatum der Konferenz
Datum der letzten Prüfung
ISBN
ISSN
Sprache
Englisch
Während FHNW Zugehörigkeit erstellt
Ja
Publikationsstatus
Begutachtung
Keine Begutachtung
Open Access-Status
Zitation
ZOGG, Andreas und Kai WEGMANN, 2021. Development and evaluation of a new screening workflow for the determination of the self-accelerating decomposition temperature of solids. The 46th Annual Meeting of STK 2021, was held on October 26th 2021 in HEIA-FR Fribourg, and was mainly focused on „Thermal Analysis and Thermal Safety“. 26 Oktober 2021. Verfügbar unter: https://doi.org/10.26041/fhnw-3961