OptEx: an integrated framework for experimental design and combustion kinetic model optimization

Z Zhou, K Lin, Y Wang, J Wang, CK Law, B Yang - Combustion and Flame, 2022 - Elsevier
Computational fluid dynamics (CFD) simulation in the design of combustion devices
imposes increased demand on combustion kinetic models with acceptable uncertainties …

Automatic validation and analysis of predictive models by means of big data and data science

E Ramalli, T Dinelli, A Nobili, A Stagni, B Pernici… - Chemical Engineering …, 2023 - Elsevier
Validation is an essential procedure in the development of a predictive model in several
engineering fields. In addition, recent data analysis techniques and the increasing …

Clustering algorithm for experimental datasets using global sensitivity-based affinity propagation (GSAP)

Y Wang, C Tao, Z Zhou, K Lin, CK Law, B Yang - Combustion and Flame, 2024 - Elsevier
To minimize the uncertainty of the parameters in combustion kinetics models, Bayesian
methods are commonly used for uncertainty constraints based on experimental data. With …

Development of an uncertainty quantification predictive chemical reaction model for syngas combustion

NA Slavinskaya, M Abbasi, JH Starcke… - Energy & …, 2017 - ACS Publications
An automated data-centric infrastructure, Process Informatics Model (PrIMe), was applied to
validation and optimization of a syngas combustion model. The Bound-to-Bound Data …

Bayesian calibration of a methane-air global scheme and uncertainty propagation to flame-vortex interactions

JM Armengol, O Le Maitre, R Vicquelin - Combustion and Flame, 2021 - Elsevier
Simplified chemistry models are commonly used in reactive computational fluid dynamics
(CFD) simulations to alleviate the computational cost. Uncertainties associated with the …

Quantifying uncertainty in kinetic simulation of engine autoignition

S Cheng, Y Yang, MJ Brear, M Frenklach - Combustion and Flame, 2020 - Elsevier
Combustion chemistry models have been developed with inherent uncertainties in them.
Whether a model that is developed using fundamental combustion experiments is capable …

Uncertainty quantification and data consistency analysis for the development of hydrogen and syngas oxidation model

H Wang, G Huang, N Aizhan, O Haidn… - International Journal of …, 2024 - Elsevier
The exponential growth of contemporary chemical kinetics data coupled with the potential
inherent high uncertainty poses significant challenges for developing chemical kinetic …

Application of bound-to-bound data collaboration approach for development and uncertainty quantification of a reduced char combustion model

S Iavarone, J Oreluk, ST Smith, A Hegde, W Li… - Fuel, 2018 - Elsevier
The development of efficient industrial oxy-coal boilers can be significantly aided by
Computational Fluid Dynamics (CFD) tools, as far as fidelity in modeling coal combustion is …

Representing model discrepancy in bound-to-bound data collaboration

W Li, A Hegde, J Oreluk, A Packard… - SIAM/ASA Journal on …, 2021 - SIAM
We extend the existing methodology in bound-to-bound data collaboration (B2BDC), an
optimization-based deterministic uncertainty quantification (UQ) framework, to explicitly take …

Does a reduced model reproduce the uncertainty of the original full-size model?

Z Liu, W Li, J Oreluk, A Hegde, A Packard… - Combustion and …, 2021 - Elsevier
The present study addresses the title question by taking a detailed mechanism of a concrete
combustion system, syngas ignition, deriving from it three reduced models with different …