The combustion and pyrolysis process of n-decane was investigated via quantum chemical
method to enhance the understanding of post-injection fuels. The hydrogen abstraction …

In this chapter, we present a review of recent research of interest to biofuel combustion. An
overview of chemical kinetic mechanism development as it pertains to combustion chemistry …

Monoglyme is a promising carbon-neutral for engines due to its renewability, compatibility
with existing infrastructure, high energy content and cetane number, etc. However, its low …

The rate constants of hydrogen abstraction reactions of alkyl ester by H atom are crucial for
optimizing combustion reaction network and improving combustion efficiency of biodiesel …

In this work, an experimental and kinetic modeling study has been conducted to bridge the
knowledge gap pertaining to the reactivity of blends of saturated and unsaturated methyl …

High-accuracy prediction of activation energies and enthalpies of reaction is theoretically
important while computationally challenging for accurately determining the kinetic …

Abstract Diethoxymethane (DEM, C 2 H 5-OCH 2 OC 2 H 5), a carbon-neutral fuel, was
investigated in this work for the low-temperature oxidation mechanism. The reaction …

As a main component of alkenes, 1-octene is the key important intermediate in the process
of oxidation or pyrolysis of n-decane or higher alkanes. In this work, quantum chemistry …

Synthetic and natural polymeric esters find applications in transport and construction
sectors, where fire safety is an important concern. One polymer that is widely used is poly …

Abstract Isopentanol (3-methyl-1-butanol) is a fuel additive and a second-generation biofuel;
H-abstraction reactions from isopentanol by H atoms and CH 3 radicals are the basic …