A detailed experimental and kinetic modeling study on pyrolysis and oxidation of oxymethylene ether-2 (OME-2)

Experimental and Kinetic Modeling Study on the Gas-Phase Pyrolysis of Hydroxycinnamaldehyde Model Compounds

“…41 The second reactor in which thermal decomposition occurs functions as a plug flow reactor (PFR). 51 Reactor simulations in this work were performed using the PFR module in Chemkin Pro 52 to model the micro-pyrolysis reactor based on the inlet flow compositions, measured temperature profiles along the reactor, and reactor dimensions. The reactor model equations can be found in the Supporting Information.…”

The merit of pressure dependent kinetic modelling in steam cracking

“…A detailed description of the quantum mechanical method is given elsewhere. 34 If no thermodynamic parameters are available in the database, Benson's group additivity method 35 is employed. In this work, the group additivity values (GAVs) from Sabbe et al 36 are used.…”

Bioderived ether design for low soot emission and high reactivity transport fuels

“…POMEs are known for their low sooting tendency, high reactivity, and the synthesizability of renewable resources. 47 There are many studies on their combustion characteristics, 48 and a detailed kinetics model is also available for some POMEs. 48,49 Meanwhile, the present study focused more on the molecular features whose role in the combustion chemistry has not been signicantly exploited; the branched structure, the ring structure, and an additional oxygen atom in a ring.…”

“…47 There are many studies on their combustion characteristics, 48 and a detailed kinetics model is also available for some POMEs. 48,49 Meanwhile, the present study focused more on the molecular features whose role in the combustion chemistry has not been signicantly exploited; the branched structure, the ring structure, and an additional oxygen atom in a ring. Moreover, the important molecular features of POMEs are included in DAE, EMD, and IBMD; thus, we believe that the CN and YSI of POMEs can be inferred based on the results of the present study.…”