Model reduction in chemical dynamics: slow invariant manifolds, singular perturbations, thermodynamic estimates, and analysis of reaction graph

AN Gorban - Current Opinion in Chemical Engineering, 2018 - Elsevier
The paper has two goals:(1) It presents basic ideas, notions, and methods for reduction of
reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds …

PyCSP: A Python package for the analysis and simplification of chemically reacting systems based on Computational Singular Perturbation

RM Galassi - Computer Physics Communications, 2022 - Elsevier
PyCSP is a Python package for the analysis and simplification of chemically reacting
systems, using algorithms based on the Computational Singular Perturbation (CSP) theory …

[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 …

An adaptive time-integration scheme for stiff chemistry based on computational singular perturbation and artificial neural networks

RM Galassi, PP Ciottoli, M Valorani, HG Im - Journal of Computational …, 2022 - Elsevier
We leverage the computational singular perturbation (CSP) theory to develop an adaptive
time-integration scheme for stiff chemistry based on a local, projection-based, reduced order …

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 …

Development and use of machine-learnt algebraic Reynolds stress models for enhanced prediction of wake mixing in low-pressure turbines

HD Akolekar, J Weatheritt… - Journal of …, 2019 - asmedigitalcollection.asme.org
Nonlinear turbulence closures were developed that improve the prediction accuracy of wake
mixing in low-pressure turbine (LPT) flows. First, Reynolds-averaged Navier–Stokes (RANS) …

Uncertainty quantification analysis of Reynolds-averaged Navier–Stokes simulation of spray swirling jets undergoing vortex breakdown

J Liberatori, RM Galassi, M Valorani… - … Journal of Spray and …, 2023 - journals.sagepub.com
The computational fluid dynamics-based design of next-generation aeronautical combustion
chambers is challenging due to many geometrical and operational parameters to be …

[HTML][HTML] Impact of chemical modeling on the numerical analysis of a LOx/GCH4 rocket engine pintle injector

L Lucchese, J Liberatori, D Cavalieri, D Simone… - Acta Astronautica, 2024 - Elsevier
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 …

Family of Skeletal Reaction Mechanisms for Methane–Oxygen Combustion in Rocket Propulsion

J Liberatori, R Malpica Galassi, D Bianchi… - Journal of Propulsion …, 2024 - arc.aiaa.org
Analyzing methane–oxygen rocket propellant combinations requires suitable modeling of
the major chemical reaction processes. Although several detailed kinetic mechanisms for …

Unsteady RANS simulations with uncertainty quantification of spray combustor under liquid rocket engine relevant conditions

D Cavalieri, J Liberatori, R Malpica Galassi… - AIAA SciTech 2023 …, 2023 - arc.aiaa.org
View Video Presentation: https://doi. org/10.2514/6.2023-2148. vid We present the
numerical characterization under uncertainty of a single-element liquid-rocket-engine fueled …