Effects of oxygenated biofuel additives on soot formation: A comprehensive review of laboratory-scale studies

L Xu, Y Wang, D Liu - Fuel, 2022 - Elsevier
Oxygenated fuels have been widely used in combustion engines to tailor fuel properties,
improve combustion performance and reduce harmful emissions such as soot particles …

High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions

K Spiekermann, L Pattanaik, WH Green - Scientific Data, 2022 - nature.com
Quantitative chemical reaction data, including activation energies and reaction rates, are
crucial for developing detailed kinetic mechanisms and accurately predicting reaction …

A comprehensive experimental and kinetic modeling study of 1-and 2-pentene

S Dong, K Zhang, EM Ninnemann, A Najjar… - Combustion and …, 2021 - Elsevier
and 2-pentene are components in gasoline and are also used as representative alkene
components in gasoline surrogate fuels. Most of the available ignition delay time data in the …

Automatically generated model for light alkene combustion

G Pio, X Dong, E Salzano, WH Green - Combustion and Flame, 2022 - Elsevier
Light alkenes are common combustion intermediates for a variety of fuels. Therefore,
understanding their oxidation and pyrolysis chemistry is key to building detailed …

Reflected shock-initiated ignition probed via simultaneous lateral and endwall high-speed imaging with a transparent, cylindrical test-section

E Ninnemann, O Pryor, S Barak, S Neupane… - Combustion and …, 2021 - Elsevier
A TRAnsparent cylindrical (TRAC) shock tube test section has been developed to explore
the ignition structure behind reflected shockwaves via simultaneous lateral and endwall high …

ReactionMechanismSimulator. jl: A modern approach to chemical kinetic mechanism simulation and analysis

MS Johnson, HW Pang, AM Payne… - International Journal of …, 2024 - Wiley Online Library
We present ReactionMechanismSimulator. jl (RMS), a modern differentiable software for the
simulation and analysis of chemical kinetic mechanisms, including multiphase systems …

Subgraph Isomorphic Decision Tree to Predict Radical Thermochemistry with Bounded Uncertainty Estimation

HW Pang, X Dong, MS Johnson… - The Journal of Physical …, 2024 - ACS Publications
Detailed chemical kinetic models offer valuable mechanistic insights into industrial
applications. Automatic generation of reliable kinetic models requires fast and accurate …

Carbon-assisted hydrogen production via electrolysis at intermediate temperatures: Impact of mineral composition, functional groups, and membrane effects on …

Ö Yörük, D Uysal, ÖM Doğan - Fuel, 2025 - Elsevier
Hydrogen production by electrolysis of materials such as lignite and leonardite, which do not
have efficient calorific value for use in energy systems, was examined in this study. The …

Shock tube investigation of high-temperature, extremely-rich oxidation of several co-optima biofuels for spark-ignition engines

RK Rahman, S Barak, SW Wagnon, G Kukkadapu… - Combustion and …, 2022 - Elsevier
To reduce the reliance on fossil fuels in the transportation sector and increase combustion
efficiency, the Co-Optima initiative from US Department of Energy identified the top 10 …

Accurately Predicting Barrier Heights for Radical Reactions in Solution Using Deep Graph Networks

KA Spiekermann, X Dong, A Menon… - The Journal of …, 2024 - ACS Publications
Quantitative estimates of reaction barriers and solvent effects are essential for developing
kinetic mechanisms and predicting reaction outcomes. Here, we create a new data set of …