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A kinetic study on pyrolysis of iso -propylcyclohexane: Fuel structure effects of alkylcyclohexane isomers on reaction mechanisms

Proceedings of the Combustion Institute, ISSN: 1540-7489, Vol: 38, Issue: 1, Page: 489-497
2021
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To reveal insights into the fuel decomposition and combustion mechanisms of alkylcycloalkanes, an intermediate-to-high-temperature pyrolysis investigation of iso -propylcyclohexane ( i -PCH) was carried out in a flow reactor at low and atmospheric pressures. The quantitative measurements were accomplished with the aid of synchrotron vacuum ultraviolet photoionization mass spectrometry and the mole fraction profiles of over thirty species were evaluated. A new kinetic model for i -PCH was developed, and the model feasibility was validated by the measured data. Model analyses revealed that the CH 3 -dissociation reaction is the most sensitive reaction for the destruction of the fuel, and this reaction together with the hydrogen abstractions on active carbon sites takes the dominance of the fuel decomposition. Due to the low bond dissociation energies (BDEs) of the C-C and C-H bonds in the isopropyl group, the primary decomposition temperatures of i -PCH are lower than those of n -propylcyclohexane ( n -PCH). Besides, the isopropyl side-chain structure affects many aspects of combustion characteristics of the fuel involving the initial fuel consumption routes and formation of branched species pool, leading to the enhancement of some hexatomic species and inhibition of aromatics production.

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