A systematic theoretical study of C2 to C6 alkenes reacting with ȮH radical to explore the
kinetics and thermochemistry effects are carried out in this work. The geometries and …

Abstract The Hybrid Chemistry (HyChem) approach is applied to model the combustion
chemistry of Gevo's alcohol-to-jet (ATJ) fuel, a conventional Jet A fuel, and their blends. The …

The temperature, CO, and CO 2 time-histories for the fuel-rich (equivalence ratio ϕ= 1.2 and
2.0) oxidation of n-heptane/diethyl ether/O 2/argon mixtures were measured simultaneously …

To determine the H-abstraction reaction probabilities of H/O/OH radicals with a
polypropylene (PP) surface, a first-principles calculation was performed based on the …

The radicals produced by hydrogen abstraction in the initial fuel decomposition step are
essential in combustion kinetics, but their experimental detection is very challenging …

Abstract New CO and H 2 O time histories were measured for 2-Methyl-1-Butene (2M1B)
behind reflected shock waves. The experimental setup was developed to simultaneously …

The reaction of alkenes with hydroxyl (OH) radical is of great importance to atmospheric and
combustion chemistry. This work used a combined ab initio/transition state theory (TST) …

The rate coefficients of H abstraction and OH addition reactions of 2, 4, 4-trimethyl-1-
pentene with OH were determined by both canonical variational transition state theory and …

This study presents the first high-temperature measurements of cyclopentene+ OH→ k 1
Products reaction over 856–1258 K and 1.03–4.33 bar. The determined rate coefficients of k …

Current surrogate formulation methods usually adopt distillation profiles, density, viscosity,
surface tension, molecular weight, research/motor octane number (RON/MON), cetane …