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  • 1 Hsiuping Institute of Technology General Education 11, Gong-Ye Road Dali Taichung County 41280 Taiwan, ROC
  • 2 National Yunlin University of Science and Technology Doctoral Program, Graduate School of Engineering Science and Technology 123, University Road, Sec. 3 Douliou Yunlin 64002 Taiwan, ROC
  • 3 Chia-Nan University of Pharmacy and Science Department of Occupational Safety and Hygiene 60, Erh-Jen Road, Sec.1, Jente Tainan 71710 Taiwan, ROC
  • 4 National Taiwan University Graduate Institute of Environmental Engineering 1, Sec. 4, Roosevelt Road Taipei 10617 Taiwan, ROC
  • 5 ChemInform Saint Petersburg (CISP) Ltd 14 Dobrolubov Ave 197198 St. Petersburg Russia
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Abstract  

A hierarchical set of kinetic models were proposed and discussed for simulation of autocatalytic decomposition of cumene hydroperoxide (CHP) in cumene at low temperatures. The hierarchy leads from a formal model of full autocatalysis, which is based on conversion degree as a state variable, through a two-stage autocatalytic concentration-based model to a meticulous multi-stage model of the reaction. By the ForK (Formal Kinetics) and DesK (Descriptive Kinetics) software, developed by ChemInform Saint Petersburg (CISP) Ltd., the related kinetic parameters and their significance have also been estimated and elucidated. Through this best-fit approach, it is possible to formulate a systematic methodology on the kinetic studies for thermal decomposition of typical organic peroxides with autocatalytic nature, specifically at low temperature ranges.

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