| 초록 |
Peroxide compounds are usually very reactive and flammable. MEKPO, the industrially common one of them, has caused many catastrophic accidents around the world because of its reactive potential. Conventional methods to assess risk of such a reactive chemical are by experiments with precision machine like DSC, ARC, 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 were evaluated by this method, and then adiabatic temperature rise for each MEKPO decomposition steps 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. |
