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 …

Automatic mechanism and kinetic model generation for gas‐and solution‐phase processes: a perspective on best practices, recent advances, and future challenges

R Van de Vijver, NM Vandewiele… - … Journal of Chemical …, 2015 - Wiley Online Library
Completely automated mechanism generation of detailed kinetic models is within reach in
the coming decade. The recent developments in this field of chemical reaction engineering …

On the statistical calibration of physical models

K Sargsyan, HN Najm… - International Journal of …, 2015 - Wiley Online Library
We introduce a novel statistical calibration framework for physical models, relying on
probabilistic embedding of model discrepancy error within the model. For clarity of …

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) …

A detailed combined experimental and theoretical study on dimethyl ether/propane blended oxidation

EE Dames, AS Rosen, BW Weber, CW Gao… - Combustion and …, 2016 - Elsevier
In this paper, a binary fuel model for dimethyl ether (DME) and propane is developed, with a
focus on engine-relevant conditions (10–50 atm and 550–2000 K). New rapid compression …

Experimental and modeling investigation of the low-temperature oxidation of dimethyl ether

A Rodriguez, O Frottier, O Herbinet… - The Journal of …, 2015 - ACS Publications
The oxidation of dimethyl ether (DME) was studied using a jet-stirred reactor over a wide
range of conditions: temperatures from 500 to 1100 K; equivalence ratios of 0.25, 1, and 2; …

Facilitating Bayesian analysis of combustion kinetic models with artificial neural network

J Wang, Z Zhou, K Lin, CK Law, B Yang - Combustion and Flame, 2020 - Elsevier
Bayesian analysis provides a framework for the inverse uncertainty quantification (UQ) of
combustion kinetic models. As the workhorse of the Bayesian approach, the Markov chain …

Shared low-dimensional subspaces for propagating kinetic uncertainty to multiple outputs

W Ji, J Wang, O Zahm, YM Marzouk, B Yang, Z Ren… - Combustion and …, 2018 - Elsevier
Forward propagation of kinetic uncertainty in combustion simulations usually adopts
response surface techniques to accelerate Monte Carlo sampling. Yet it is computationally …

Reduction of large-scale chemical mechanisms using global sensitivity analysis on reaction class/sub-mechanism

Y Chang, M Jia, B Niu, X Dong, P Wang - Combustion and Flame, 2020 - Elsevier
The reliable chemical mechanisms with compact scale play an important role in engine
modeling. In this research, a new method was presented to reduce the large-scale reaction …

Dimethyl ether oxidation analyzed in a given flow reactor: Experimental and modeling uncertainties

A Stagni, S Schmitt, M Pelucchi, A Frassoldati… - Combustion and …, 2022 - Elsevier
Dimethyl ether (DME), a widely studied alternative fuel, is known to exhibit complex low-and
high-temperature oxidation chemistry. It is also the smallest molecule in the families of …