Combustion, chemistry, and carbon neutrality

K Kohse-Höinghaus - Chemical Reviews, 2023 - ACS Publications
Combustion is a reactive oxidation process that releases energy bound in chemical
compounds used as fuels─ energy that is needed for power generation, transportation …

[HTML][HTML] Improving aircraft performance using machine learning: A review

S Le Clainche, E Ferrer, S Gibson, E Cross… - Aerospace Science and …, 2023 - Elsevier
This review covers the new developments in machine learning (ML) that are impacting the
multi-disciplinary area of aerospace engineering, including fundamental fluid dynamics …

[HTML][HTML] An evolutionary, data-driven approach for mechanism optimization: theory and application to ammonia combustion

A Bertolino, M Fürst, A Stagni, A Frassoldati… - Combustion and …, 2021 - Elsevier
In this work, we propose a novel data-driven approach for detailed kinetic mechanisms
optimization. The approach is founded on a curve matching-based objective function and …

Automated reaction kinetics of gas-phase organic species over multiwell potential energy surfaces

J Zádor, C Martí, R Van de Vijver… - The Journal of …, 2023 - ACS Publications
Automation of rate-coefficient calculations for gas-phase organic species became possible
in recent years and has transformed how we explore these complicated systems …

Combustion in the future: The importance of chemistry

K Kohse-Höinghaus - Proceedings of the Combustion Institute, 2021 - Elsevier
Combustion involves chemical reactions that are often highly exothermic. Combustion
systems utilize the energy of chemical compounds released during this reactive process for …

Influence of functional groups on low-temperature combustion chemistry of biofuels

B Rotavera, CA Taatjes - Progress in Energy and Combustion Science, 2021 - Elsevier
Ongoing progress in synthetic biology, metabolic engineering, and catalysis continues to
produce a diverse array of advanced biofuels with complex molecular structure and …

High-pressure pyrolysis and oxidation of DME and DME/CH4

H Hashemi, JM Christensen, P Glarborg - Combustion and Flame, 2019 - Elsevier
The pyrolysis and oxidation of dimethyl ether (DME) and its mixture with methane were
investigated at high pressure (50 and 100 bar) and intermediate temperature (450–900 K) …

Unimolecular decomposition kinetics of the stabilised Criegee intermediates CH 2 OO and CD 2 OO

D Stone, K Au, S Sime, DJ Medeiros, M Blitz… - Physical Chemistry …, 2018 - pubs.rsc.org
Decomposition kinetics of stabilised CH2OO and CD2OO Criegee intermediates have been
investigated as a function of temperature (450–650 K) and pressure (2–350 Torr) using flash …

Harnessing the combined power of theoretical and experimental data through multiscale informatics

MP Burke - International Journal of Chemical Kinetics, 2016 - Wiley Online Library
Monumental, recent and rapidly continuing, improvements in the capabilities of ab initio
theoretical kinetics calculations provides reason to believe that progress in the field of …

Using active subspace-based similarity analysis for design of combustion experiments

K Lin, Z Zhou, Y Wang, CK Law, B Yang - Proceedings of the Combustion …, 2023 - Elsevier
Experimental data under a wide range of conditions are essential for the optimization of
combustion kinetic models. However, some laboratory measurements under given …