Tuning the reactivity of Ni/MoS2 membrane for efficient methane pyrolysis and hydrogen production: a multi-scale study
W Zhou, W Zhou, H Qiu, D Li, Y Zhang… - Energy Conversion and …, 2023 - Elsevier
This study investigates the performance of a Ni-coated MoS 2 membrane for catalysis and
separation in the methane pyrolysis process. Bifunctional membranes provide a low-energy …
separation in the methane pyrolysis process. Bifunctional membranes provide a low-energy …
DeepCV: A deep learning framework for blind search of collective variables in expanded configurational space
We present Deep learning for Collective Variables (DeepCV), a computer code that provides
an efficient and customizable implementation of the deep autoencoder neural network …
an efficient and customizable implementation of the deep autoencoder neural network …
Inhibition mechanism of electric field on polycyclic aromatic hydrocarbon formation during n-decane pyrolysis: A ReaxFF MD and DFT study
W Zhou, X Zhang, W Zhou, L Yang, Z Jia - Journal of the Energy Institute, 2022 - Elsevier
Polycyclic aromatic hydrocarbon (PAH) is the soot precursor in hydrocarbon fuel pyrolysis
process, which results in serious combustion and environmental issues. This work …
process, which results in serious combustion and environmental issues. This work …
Impact of chemical and physical properties of organic solvents on the gas and hydrogen formation during laser synthesis of gold nanoparticles
T Fromme, LK Tintrop, S Reichenberger… - …, 2023 - Wiley Online Library
Laser ablation in liquids has been established as a scalable preparation method of
nanoparticles for various applications. Particularly for materials prone to oxidation, it is …
nanoparticles for various applications. Particularly for materials prone to oxidation, it is …
Experimental and kinetic modeling study on high-temperature autoignition of cyclohexene
J Liang, F Li, S Cao, X Li, R He, MX Jia, QD Wang - ACS omega, 2022 - ACS Publications
Cyclohexene is an important intermediate during the oxidation of cycloalkanes, which
comprise a significant portion of real fuels. Thus, experimental data sets and kinetic models …
comprise a significant portion of real fuels. Thus, experimental data sets and kinetic models …
The impact of cyclic fuels on the formation and structure of soot
This paper investigates the impact of cyclic fuels on the nanostructure, nucleation and
overall production of soot in an n-heptane (C 7 H 16) laminar coflow diffusion flame. The …
overall production of soot in an n-heptane (C 7 H 16) laminar coflow diffusion flame. The …
Synergistic effects in toluene/C3H4 isomers co-pyrolysis: Formation of indene and naphthalene
A combination of experimental and kinetic modeling study is performed to explore
synergistic effects between toluene and C 3 H 4 isomers on the formation of polycyclic …
synergistic effects between toluene and C 3 H 4 isomers on the formation of polycyclic …
Experimental and numerical study of soot formation in laminar n-butylcyclohexane and n-butylbenzene diffusion flames at elevated pressures
The soot formation characteristics of laminar nitrogen-diluted n-butylcyclohexane and n-
butylbenzene diffusion flames were experimentally and numerically investigated at …
butylbenzene diffusion flames were experimentally and numerically investigated at …
[HTML][HTML] A comparative study of the sooting tendencies of various C5–C8 alkanes, alkenes and cycloalkanes in counterflow diffusion flames
In this work, sooting tendencies of various vaporized C 5-C 8 alkanes, alkenes, cycloalkanes
were investigated in a counterflow diffusion flame (CDF) configuration. Mie scattering and …
were investigated in a counterflow diffusion flame (CDF) configuration. Mie scattering and …
Correlation in quantum chemical calculation and its effect on the uncertainty of theoretically predicted rate coefficients and branching ratios
The transition state theory (TST) and RRKM/master equation (ME) method have been well
acknowledged in developing combustion models. Uncertainties in input parameters, such as …
acknowledged in developing combustion models. Uncertainties in input parameters, such as …