Adiabatic calorimeters, chemical reactivity

This brief overview of offline measurements can be concluded by considering the measurements of the heat released by chemical reactions, which can be obtained via calorimetric measurements [7, 18]. The most diffused industrial calorimeters are the so-called reaction calorimeters, basically consisting in jacketed vessels in which the reaction takes place and the heat released is measured by monitoring the temperature of the fluid in the jacket. A class of alternative instruments are the scanning calorimeters (differential or adiabatic), in which the analysis is performed by linearly increasing the sample temperature with respect to time, in order to test the reactivity of potentially unstable chemical systems in a proper temperature range by measuring the released heat. 

Peroxide compounds are usually very reactive and flanunable. They have caused many catastrophic accidents around the world because of their reactive potential. Conventional methods to assess risk of such a reactive chemical have been done by experiments with precision machine such as DSC (differential scanning calorimeter), ARC (accelerating rate calorimeter), etc., but they need more finance, concentration and charge of danger. To overcome that, computer aided prediction method using group contribution method was used in this study. Some essential thermodynamic properties of chemicals were evaluated by this method, and then adiabatic temperature rise for each decomposition steps of peroxide compound were obtained, which can be a good index of the hazardousness of reaction. The result was approximate to other experimental and simulation data from references. 

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