Reactive chemicals accelerating rate calorimeter

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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