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 …
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 …
Soft photoionization molecular-beam mass spectrometry (PI-MBMS) using synchrotron
vacuum ultraviolet (SVUV) light has been significantly developed and applied in various …
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
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 …
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
Accurate fuel oxidation mechanisms can enable predictive capabilities that aid in advancing
combustion technologies. High-level computational kinetics can yield reasonable rate …
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 …
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 …
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
Conformational effect is an important feature of the low-temperature (low-T) oxidation
chemistry of cycloalkanes. In this work, both theoretical calculation and conformational …
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 …
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
The oxidation of cycloalkanes is important in the combustion of transportation fuels and in
atmospheric secondary organic aerosol formation. A transient carbon-centered radical …
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 …
in combustion and atmospheric chemistry. In this work, we select two representative …