[HTML][HTML] Quantum-kinetic chemistry model with an anharmonic oscillator model: Model derivation and limitations

CHB Civrais, C White, R Steijl - Physics of Fluids, 2024 - pubs.aip.org
This work presents a new formulation of the quantum-kinetic (QK) chemistry models, in
which the vibrational excitation is modeled with an anharmonic oscillator model. The new …

[HTML][HTML] Quantum-kinetic chemistry model with an anharmonic oscillator model: Model extension and validation

CHB Civrais, C White, R Steijl - Physics of Fluids, 2024 - pubs.aip.org
This work proposes an extended version of the quantum-kinetic chemistry models, aiming to
accurately reproduce experimental measurements and high-fidelity calculations in both …

Efficient particle control in systems with large density gradients

EK Massaro, MA Gallis… - Journal of Computational …, 2024 - Elsevier
Simulations of large density gradients present a number of challenges for direct Monte Carlo
methods, since they lead to too few particles in dilute regions and prohibitively many in the …

Evaluation of a kinetic-theory approach for chemical-reaction rates in upper-atmosphere hypersonic flows

CH Civrais, C White, R Steijl - AIAA AVIATION 2023 Forum, 2023 - arc.aiaa.org
View Video Presentation: https://doi. org/10.2514/6.2023-3809. vid A novel version of the
Quantum-Kinetic (QK) chemistry models where the vibrational energy is treated with an …

Efficient Hypersonic Signature Analysis Through Simulation-Based Inference

O Tumuklu, ST Radev - AIAA SCITECH 2025 Forum, 2025 - arc.aiaa.org
The goal of this work is to validate an efficient simulation-based approach to analyzing
hypersonic signatures. Hypersonic flows over a cylinder are simulated with the freestream …

Extension of the aerothermodynamics modelling in direct simulation Monte Carlo

CHB Civrais - 2024 - theses.gla.ac.uk
The modelling of aerothermodynamic flows is extremely challenging as it combines both
aerodynamics and thermodynamics disciplines. Aerothermodynamic applications typically …

CFD Parallel Computing Technology for Chemical Non-Equilibrium Flow Based on Large Scale Linear Algebraic Equations

L Hong - Chemical Engineering Transactions, 2018 - cetjournal.it
The purpose of this study is to understand the operation mode of computational fluid
dynamics (CFD) parallel computing technology for non-equilibrium flow. To this end, this …