Hierarchical kinetic simulation for autocatalytic decomposition of cumene hydroperoxide at low temperatures

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Title:	Hierarchical kinetic simulation for autocatalytic decomposition of cumene hydroperoxide at low temperatures
Authors:	Jiann-Rong Chen Shyh-Yuch Cheng Min-Hao Yuan Arcady A. Kossoy Chi-Min Shu
Contributors:	職業安全衛生系
Keywords:	Autocatalytic decomposition Best-fit approach Cumene hydroperoxide (CHP) Kinetic parameters Meticulous multi-stage model
Date:	2009-06
Issue Date:	2010-11-19 11:50:17 (UTC+8)
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.
Relation:	Journal of Thermal Analysis and Calorimetry 96(3)：p.751-758
Appears in Collections:	[Dept. of Occupational Safety] Periodical Articles

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