Towards predictive combustion kinetic models: Progress in model analysis and informative experiments

B Yang - Proceedings of the Combustion Institute, 2021 - Elsevier
One of the key tasks of combustion chemistry research is to develop accurate and robust
combustion kinetic models for practical fuels. An accurate and robust kinetic model yields …

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 …

[HTML][HTML] Ammonia and ammonia/hydrogen combustion: Comprehensive quantitative assessment of kinetic models and examination of critical parameters

S Girhe, A Snackers, T Lehmann, R Langer… - Combustion and …, 2024 - Elsevier
Ammonia (NH 3) stands as a pivotal player in the global shift towards carbon-free energy
systems. Reliable chemical kinetic models are crucial for advancements in NH 3-based …

[HTML][HTML] A review of uncertainty quantification and its applications in numerical simulation of scramjet combustor

L Li, L Zhang, B Zhang, H Liu, Z Zheng - International Journal of …, 2023 - Elsevier
Engine design heavily relies on numerical simulation of engine environments, which greatly
accelerates the design iteration and increases efficiency. Nonetheless, for a long time, the …

Iterative model-based experimental design for efficient uncertainty minimization of chemical mechanisms

F vom Lehn, L Cai, H Pitsch - Proceedings of the Combustion Institute, 2021 - Elsevier
The uncertainties of chemical kinetic model parameters induce uncertainties in model
predictions. Automatic optimization and uncertainty minimization techniques have been …

Autoignition Dynamics around the Third Explosion Limit

EA Tingas, DC Kyritsis, DA Goussis - Journal of Energy …, 2019 - ascelibrary.org
This paper examines the influence of wall reactions on the generation of the explosive time
scale that characterizes ignition delay around the third explosion limit of a stoichiometric H …

Uncertainty analysis of correlated parameters in automated reaction mechanism generation

CW Gao, M Liu, WH Green - International Journal of Chemical …, 2020 - Wiley Online Library
Uncertainty analysis is a useful tool for inspecting and improving detailed kinetic
mechanisms because it can identify the greatest sources of model output error. Owing to the …

Reduction of lumped reaction networks based on global sensitivity analysis

Z Till, T Varga, J Soja, N Miskolczi, T Chovan - Chemical Engineering …, 2019 - Elsevier
In case of complex chemical systems in that many reactions occur between high numbers of
species, it is often necessary to use some form of lumping in order to obtain a simpler kinetic …

Efficient sensitivity analysis and interpretation of parameter correlations in chemical engineering

X Xie, R Schenkendorf, U Krewer - Reliability Engineering & System Safety, 2019 - Elsevier
Parameter uncertainties affect model-based system reliability analysis and may lead to
safety issues in model-based process design. Global sensitivity analysis (GSA) is a valuable …

Toward a comprehensive and efficient robust optimization framework for (bio) chemical processes

X Xie, R Schenkendorf, U Krewer - Processes, 2018 - mdpi.com
Model-based design principles have received considerable attention in biotechnology and
the chemical industry over the last two decades. However, parameter uncertainties of first …