Combustion kinetic model uncertainty quantification, propagation and minimization
The current interest in the combustion chemistry of hydrocarbon fuels, including the various
alcohol and biodiesel compounds, motivates this review of the methods and application of …
alcohol and biodiesel compounds, motivates this review of the methods and application of …
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 kinetic models for practical fuels. An accurate and robust kinetic model yields …
[HTML][HTML] Optimized chemical mechanism for combustion of gasoline surrogate fuels
Since real petroleum fuels are composed of a huge variety of hydrocarbon components,
surrogate mixtures of various hydrocarbon fuels are typically employed in computational …
surrogate mixtures of various hydrocarbon fuels are typically employed in computational …
Auto-ignition of oxymethylene ethers (OMEn, n= 2–4) as promising synthetic e-fuels from renewable electricity: shock tube experiments and automatic mechanism …
Carbon-neutral synthetic fuels can be produced from renewable electricity by the
hydrogenation of carbon dioxide captured from air or exhaust gas. A promising class of …
hydrogenation of carbon dioxide captured from air or exhaust gas. A promising class of …
[HTML][HTML] An evolutionary, data-driven approach for mechanism optimization: theory and application to ammonia combustion
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 …
optimization. The approach is founded on a curve matching-based objective function and …
Development of a joint hydrogen and syngas combustion mechanism based on an optimization approach
ABSTRACT A comprehensive and hierarchical optimization of a joint hydrogen and syngas
combustion mechanism has been carried out. The Kéromnès et al.(Combust Flame, 2013 …
combustion mechanism has been carried out. The Kéromnès et al.(Combust Flame, 2013 …
Optimization of a hydrogen combustion mechanism using both direct and indirect measurements
The Kéromnès et al.(2013) mechanism for hydrogen combustion has been optimized using
a large set of indirect experimental data, consisting of ignition measurements in shock tubes …
a large set of indirect experimental data, consisting of ignition measurements in shock tubes …
Optimized reaction mechanism rate rules for ignition of normal alkanes
The increasing demand for cleaner combustion and reduced greenhouse gas emissions
motivates research on the combustion of hydrocarbon fuels and their surrogates. Accurate …
motivates research on the combustion of hydrocarbon fuels and their surrogates. Accurate …
The method of uncertainty quantification and minimization using polynomial chaos expansions
Reliable simulations of reacting flow systems require a well-characterized, detailed chemical
model as a foundation. Accuracy of such a model can be assured, in principle, by systematic …
model as a foundation. Accuracy of such a model can be assured, in principle, by systematic …
The fourth age of quantum chemistry: molecules in motion
Developments during the last two decades in nuclear motion theory made it possible to
obtain variational solutions to the time-independent, nuclear-motion Schrödinger equation of …
obtain variational solutions to the time-independent, nuclear-motion Schrödinger equation of …