Comprehensive Kinetic Model for Adiabatic Decomposition of Di-tert-butyl Peroxide Using BatchCAD

Abstract

This is the first comprehensive study on the kinetic modeling of adiabatic decomposition of di-tert-butyl peroxide (DTBP) and its solvent mixtures. The adiabatic thermal decomposition of DTBP and its solvent mixtures was examined using an accelerating rate calorimeter under varying thermal inertia. The decomposition products were characterized using gas chromatography−total inorganic carbon analysis and gas chromatography−mass spectroscopy to elucidate the mechanistic pathways for decomposition under adiabatic conditions. Reaction models (overall stoichiometric equations) for the decomposition of neat DTBP and its mixture in various solvents have been proposed for the first time. A comprehensive kinetic analysis based on simultaneous treatment of mass and energy balances has been done using a software called BatchCAD. The activation energies for the decomposition of DTBP and its mixtures in various solvents were quite consistent. This comprehensive study has answered to many ambiguities and questions on the mechanism of DTBP decomposition and its kinetics.

Ionic Liquids as Moderators in Exothermic Polymerization Reactions

“…Such instruments have been widely employed to investigate thermal runaway of exothermic systems. [27][28] The calorimeter has a very large heat capacity relative to the sample and therefore acts as a near-perfect heat sink for the sample. The instrument detects the instantaneous rate of reaction at each temperature through the heat generated from the sample.…”

Niebezpieczne właściwości nadtlenków organicznych na przykładzie nadtlenku di-tert-butylu oraz nadbenzoesanu tert-butylu

“…Powstające produkty ulegają dalszym reakcjom (reakcje (11)- (13)). Reakcja (14) ilustruje ogólną reakcję termicznego rozkładu nadtlenku di-tert-butylu, w której powstają: aceton, tert-butanol, tlenek izobutylenu, butanon (keton etylowometylowy), etan, metan [20]. Cząsteczka etanu jest produktem reakcji rekombinacji dwóch rodników metylowych (reakcja (12)) i powstaje wraz z wydzielaniem ciepła, które zmieszane z tlenem (powietrzem) może przekroczyć temperaturę samozapłonu [21].…”

Using biofuel tracers to study alternative combustion regimes

“…The combined mechanism contains 112 species and 484 reactions. Additional reactions for the adiabatic decomposition of DTBP were added into the mechanism, following the work of Iizuka et al [30].…”