An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature.

We have used laser-photolysis-photoionization mass spectrometry, quantum chemical calculations, and master equation simulations to investigate the kinetics of the reaction between (/)-pent-3-en-2-yl a resonance-stabilised hydrocarbon radical, and molecular oxygen. The time-resolved experiments were performed over a wide temperature range (240-750 K) at relatively low pressures (0.4-7 Torr) under pseudo-first-order conditions (excess [O]).

An experimental and computational study of the reaction between 2-methylallyl radicals and oxygen molecules: optimizing master equation parameters with trace fitting.

We have investigated the reaction between 2-methylallyl radicals and oxygen molecules with experimental and computational methods. Kinetic experiments were conducted in a tubular laminar flow reactor using laser photolysis for radical production and photoionization mass spectrometry for detection. The reaction was investigated as a function of temperature (203-730 K) and pressure (0.

An experimental and master-equation modeling study of the kinetics of the reaction between resonance-stabilized (CH)CCHCH radical and molecular oxygen.

The kinetics of the reaction between resonance-stabilized (CH)CCHCH radical (R) and O has been investigated using photoionization mass spectrometry, and master equation (ME) simulations were performed to support the experimental results. The kinetic measurements of the (CH)CCHCH + O reaction (1) were carried out at low helium bath-gas pressures (0.2-5.

Effect of Methyl Group Substitution on the Kinetics of Vinyl Radical + O Reaction.

The kinetics of (CH)CCH + O (1) and (CH)CCCH + O (2) reactions have been measured as a function of temperature (223-600 K) at low pressures (0.4-2 Torr) using a tubular laminar flow reactor coupled to a photoionization mass spectrometer (PIMS). These reactions are important for accurate modeling of unsaturated hydrocarbon combustion.

Oxidation Kinetics and Thermodynamics of Resonance-Stabilized Radicals: The Pent-1-en-3-yl + O Reaction.

The kinetics and thermochemistry of the pent-1-en-3-yl radical reaction with molecular oxygen (CHCHCHCHCH + O) has been studied by both experimental and computational methods. The bimolecular rate coefficient of the reaction was measured as a function of temperature (198-370 K) and pressure (0.2-4.

Kinetics of the Methyl-Vinyl Radical + O Reactions Associated with Propene Oxidation.

The bimolecular rate coefficients of reactions CHCCH + O (1) and cis/ trans-CHCHCH + O (2a/3a) have been measured using a tubular laminar flow reactor coupled with a photoionization mass spectrometer (PIMS). These reactions are relevant in the combustion of propene. Pulsed excimer laser photolysis of a ketone or a bromide precursor molecule at 193 or 248 nm wavelength was used to produce radicals of interest homogeneously along the reactor.