Chemical kinetics of cyclic ethers in combustion

LS Tran, O Herbinet, HH Carstensen… - Progress in Energy and …, 2022 - Elsevier
Abstract Cyclic Ethers (CEs) belong to a class of compounds of importance to understand
the chemistry of both the engine auto-ignition of hydrocarbon fuels and the combustion of …

Probing combustion and catalysis intermediates by synchrotron vacuum ultraviolet photoionization molecular-beam mass spectrometry: recent progress and future …

Z Zhou, J Yang, W Yuan, Z Wang, Y Pan… - Physical Chemistry …, 2022 - pubs.rsc.org
Soft photoionization molecular-beam mass spectrometry (PI-MBMS) using synchrotron
vacuum ultraviolet (SVUV) light has been significantly developed and applied in various …

A comprehensive study on low-temperature oxidation chemistry of cyclohexane. II. Experimental and kinetic modeling investigation

J Zou, H Jin, D Liu, X Zhang, H Su, J Yang… - Combustion and …, 2022 - Elsevier
Low-temperature oxidation of cyclohexane is investigated in two jet-stirred reactors (JSRs)
at 1.04 bar and the equivalence ratio of 0.25. Reactive hydroperoxides and highly …

Insights into constraining rate coefficients in fuel oxidation mechanisms using genetic algorithm optimization

M Demireva, L Sheps, N Hansen - Energy & Fuels, 2023 - ACS Publications
Accurate fuel oxidation mechanisms can enable predictive capabilities that aid in advancing
combustion technologies. High-level computational kinetics can yield reasonable rate …

Binary catalytic systems constructed by porphyrin cobalts (II) with confining nano-region and Zn (OAc) 2 for oxygenation of cycloalkanes with O2 in relay mode

JY Ni, SZ Cong, L Ning, M Wang, HM Shen, YB She - Molecular Catalysis, 2022 - Elsevier
To produce partly oxygenated products of cycloalkanes utilizing O 2 in high-efficiency and
high-selectivity, binary catalytic systems possessing bimetallic centers were constructed …

A theoretical and modeling study about the low-temperature reaction mechanism between diethoxymethane radicals and O2

S Ruan, J Yin, Y Shi, C Qin, K Xu, C He, X Hu… - Combustion and …, 2023 - Elsevier
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 …

Conformation-dependent low-temperature oxidation chemistry of methylcyclohexane: first oxygen addition and chain-branching

J Zou, J Zhang, T Lian, Q Xu, B Liu, Z Wang… - Combustion and …, 2022 - Elsevier
Conformational effect is an important feature of the low-temperature (low-T) oxidation
chemistry of cycloalkanes. In this work, both theoretical calculation and conformational …

Product identification in the low-temperature oxidation of cyclohexane using a jet-stirred reactor in combination with SVUV-PEPICO analysis and theoretical quantum …

J Bourgalais, HH Carstensen, O Herbinet… - The Journal of …, 2022 - ACS Publications
Cyclohexane oxidation chemistry was investigated using a near-atmospheric pressure jet-
stirred reactor at T= 570 K and equivalence ratio ϕ= 0.8. Numerous intermediates including …

Isomer-resolved unimolecular dynamics of the hydroperoxyalkyl intermediate (• QOOH) in cyclohexane oxidation

Y Qian, TK Roy, AW Jasper… - Proceedings of the …, 2024 - National Acad Sciences
The oxidation of cycloalkanes is important in the combustion of transportation fuels and in
atmospheric secondary organic aerosol formation. A transient carbon-centered radical …

Kinetic study of hydrogen abstraction reactions from n-propyl/n-butylcyclohexane by hydrogen atom

L Lian, Y He, L Xing, C Xie, Z Wang, X Wang, H Li - Fuel, 2023 - Elsevier
Hydrogen abstraction reactions of alkylated cycloalkane by radicals play a fundamental role
in combustion and atmospheric chemistry. In this work, we select two representative …