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Possible use as biofuels of monoaromatic oxygenates produced by lignin catalytic conversion: A review
Small aromatic molecules with oxygen-containing functional groups (monoaromatic
oxygenates) are common products of the catalytic depolymerization of lignin, which can be …
oxygenates) are common products of the catalytic depolymerization of lignin, which can be …
Insights into evolution mechanism of PAHs in coal thermal conversion: A combined experimental and DFT study
YF Chen, S Su, LP Zhang, L Jiang, MX Qing, HY Chi… - Energy, 2021 - Elsevier
The evolution mechanism and energy conversion of volatile in low-rank coal with pyrolysis
temperatures still remain uncertain. The experimental results on gas products and light tar …
temperatures still remain uncertain. The experimental results on gas products and light tar …
Computational thermochemistry of oxygenated polycyclic aromatic hydrocarbons and relevant radicals
Oxygenated polycyclic aromatic hydrocarbons (OPAHs) have attracted growing attention
due to their toxicological harmfulness and significant role in soot formation. This study …
due to their toxicological harmfulness and significant role in soot formation. This study …
BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds
We present an extensive and diverse dataset of bond separation energies associated with
the homolytic cleavage of covalently bonded molecules (AB) into their corresponding radical …
the homolytic cleavage of covalently bonded molecules (AB) into their corresponding radical …
Molecular dynamics simulations and experimental study on deconvolution of volatile–char interaction in coal pyrolysis: Insight into the role of O-containing compound …
M Ma, Y Bai, J Wei, X Song, P Lv, J Wang, W Su… - Chemical Engineering …, 2023 - Elsevier
Abstract Information on energy states, evolutionary paths, microstructure, and chemical
bonding properties of reactants and products under volatile–char interaction cannot be …
bonding properties of reactants and products under volatile–char interaction cannot be …
Effects of steam and CO2 on gasification tar composition and evolution of aromatic compounds
F Tang, Z Zhu, C Xu, Y Chi, Y ** - Waste Management, 2023 - Elsevier
The removal of tar is conducive to improving the energy efficiency of downstream equipment
and reducing the damage caused to it. In this study, a two-stage continuous feeding …
and reducing the damage caused to it. In this study, a two-stage continuous feeding …
What a difference a chlorine makes: The remarkable unimolecular ion chemistry of phenyl formate and phenyl chloroformate
Imaging photoelectron photoion coincidence (iPEPICO) spectroscopy and tandem mass
spectrometry were employed to explore the ionisation and dissociative ionisation of phenyl …
spectrometry were employed to explore the ionisation and dissociative ionisation of phenyl …
Oxidation study of benzaldehyde with synchrotron photoionization and molecular beam mass spectrometry
JT Chen, D Yu, W Li, WY Chen, SB Song, C **e… - Combustion and …, 2020 - Elsevier
The oxidation of benzaldehyde (A1CHO) at atmospheric pressure in a jet-stirred reactor at
equivalence ratios of 0.4 and 2.0 within 475–900 K was studied. The intermediates and …
equivalence ratios of 0.4 and 2.0 within 475–900 K was studied. The intermediates and …
Experimental and kinetic modeling studies of 2-acetylfuran pyrolysis at atmospheric pressure
W He, Q Xu, C **e, J Yin, P Li, Z Wang, L Zhang… - Combustion and …, 2022 - Elsevier
Furan-based derivatives are promising biomass fuels that may be used directly in internal
combustion engines as alternative fuels or as additives to fossil fuels. In this work, the …
combustion engines as alternative fuels or as additives to fossil fuels. In this work, the …
Theoretical study of the hydrogen abstraction reactions from substituted phenolic species
QD Wang, MM Sun, J Liang - Computational and Theoretical Chemistry, 2021 - Elsevier
The growing interest in the use of bio-oils requires a detailed understanding of its
combustion chemical kinetics. Bio-oils contain a large variety of oxygenated organic …
combustion chemical kinetics. Bio-oils contain a large variety of oxygenated organic …