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

被引：32

作者：

Chen, Jiann-Rong ^{[1
,2
]}

Cheng, Shyh-Yuch ^{[3
]}

Yuan, Min-Hao ^{[4
]}

Kossoy, Arcady A. ^{[5
]}

Shu, Chi-Min ^{[1
]}

机构：

[1] Natl Yunlin Univ Sci & Technol, Grad Sch Engn Sci & Technol, Doctoral Program, Touliu 64002, Yunlin, Taiwan

[2] Hsiuping Inst Technol, Dali 41280, Taichung County, Taiwan

[3] Chia Nan Univ Pharm & Sci, Dept Occupat Safety & Hyg, Tainan 71710, Taiwan

[4] Natl Taiwan Univ, Grad Inst Environm Engn, Taipei 10617, Taiwan

[5] ChemInform St Petersburg CISP Ltd, St Petersburg 197198, Russia

来源：

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY | 2009年 / 96卷 / 03期

关键词：

Autocatalytic decomposition; Best-fit approach; Cumene hydroperoxide (CHP); Kinetic parameters; Meticulous multi-stage model; REACTION HAZARD ANALYSIS; ABSOLUTE RATE CONSTANTS; THERMAL-DECOMPOSITION; HYDROCARBON AUTOXIDATION; BUTYL HYDROPEROXIDE; SODIUM-HYDROXIDE; SELF-REACTIONS; ISOPROPYLPEROXY; RADICALS;

D O I：

10.1007/s10973-009-0023-6

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

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.

引用

页码：751 / 758

页数：8

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