The partially stirred reactor model for combustion closure in large eddy simulations: Physical principles, sub-models for the cell reacting fraction, and open challenges
For their ability to account for finite-rate chemistry, reactor-based models are well suited
Turbulence–Chemistry Interactions (TCI) Sub-Grid Scale (SGS) closures for Large Eddy …
Turbulence–Chemistry Interactions (TCI) Sub-Grid Scale (SGS) closures for Large Eddy …
[HTML][HTML] Driving mechanisms of high-cetane number, synthetic fuel autoignition: The case of OME2− 4
Oxymethylene dimethyl ethers (CH 3 O (CH 2 O) x CH 3 or OME x) are potential synthetic
substitutes of diesel and jet fuel that can be acquired through CO 2 recycling and have the …
substitutes of diesel and jet fuel that can be acquired through CO 2 recycling and have the …
[HTML][HTML] Evaluation of chemical kinetic models for simulations of hydrogen detonations by comparison with experimental data
V Sankar, KP Chatelain, DA Lacoste - Applications in Energy and …, 2025 - Elsevier
Two-dimensional numerical simulations of a weakly unstable detonation mixture 2 H 2+ O
2+ 3. 76 Ar at 20 kPa and 295 K were performed using our validated OpenFOAM solver …
2+ 3. 76 Ar at 20 kPa and 295 K were performed using our validated OpenFOAM solver …
[HTML][HTML] Impact of chemical modeling on the numerical analysis of a LOx/GCH4 rocket engine pintle injector
Liquid rocket engines equipped with LOx/GCH4 pintle injectors represent a promising
technology when a large throttling capability is required. Still, limited amounts of data are …
technology when a large throttling capability is required. Still, limited amounts of data are …
Family of Skeletal Reaction Mechanisms for Methane–Oxygen Combustion in Rocket Propulsion
Analyzing methane–oxygen rocket propellant combinations requires suitable modeling of
the major chemical reaction processes. Although several detailed kinetic mechanisms for …
the major chemical reaction processes. Although several detailed kinetic mechanisms for …
Automated adaptive chemistry for Large Eddy Simulations of turbulent reacting flows
Abstract Large Eddy Simulations (LES) of turbulent reacting flows carried out with detailed
kinetic mechanisms have a key role for the discovery of the physical and chemical …
kinetic mechanisms have a key role for the discovery of the physical and chemical …
Python tools for structural tasks in chemistry
FV Ryzhkov, YE Ryzhkova, MN Elinson - Molecular Diversity, 2024 - Springer
In recent decades, the use of computational approaches and artificial intelligence in the
scientific environment has become more widespread. In this regard, the popular and …
scientific environment has become more widespread. In this regard, the popular and …
A combined PCA-CSP solver for dimensionality and stiffness reduction in reacting flow simulations
In reduced-order model (ROM) development for reacting flow simulations, data-driven
principal component analysis (PCA) for dimensionality reduction and the physics-based …
principal component analysis (PCA) for dimensionality reduction and the physics-based …
[HTML][HTML] OME2− 4/air mixtures: The structure and propagation mechanism of their laminar premixed flames
Oxymethylene dimethyl ethers (CH 3 O (CH 2 O) x CH 3 or OME x) are synthetic substitutes
of diesel and jet fuel. They can achieve soot-less combustion and have been shown to …
of diesel and jet fuel. They can achieve soot-less combustion and have been shown to …
[HTML][HTML] Characteristic time scale as optimal input in Machine Learning algorithms: Homogeneous autoignition
Considering temporally evolving processes, the search for optimal input selection in
Machine Learning (ML) algorithms is extended here beyond (i) the readily available …
Machine Learning (ML) algorithms is extended here beyond (i) the readily available …