Direct molecular simulation of oxygen dissociation across normal shocks
We present direct molecular simulations (DMSs) of rovibrational excitation and dissociation
of oxygen across normal shock waves. These are the first atomistic simulations of normal …
of oxygen across normal shock waves. These are the first atomistic simulations of normal …
[HTML][HTML] Non-Boltzmann vibrational energy distributions and coupling to dissociation rate
In this article, we propose a generalized model for nonequilibrium vibrational energy
distribution functions. The model can be used, in place of equilibrium (Boltzmann) …
distribution functions. The model can be used, in place of equilibrium (Boltzmann) …
Vehicle-scale simulations of hypersonic flows using the MMT chemical kinetics model
The Modified Marrone-Treanor (MMT) chemical kinetics model has recently been developed
for and implemented in CFD codes suitable for vehicle-scale simulation. The MMT model is …
for and implemented in CFD codes suitable for vehicle-scale simulation. The MMT model is …
Assessment of hypersonic double-cone experiments for validation of thermochemistry models
The effect of thermochemical kinetics modeling on hypersonic flow over a double-cone
geometry is investigated. The double-cone is simulated using three different approaches …
geometry is investigated. The double-cone is simulated using three different approaches …
[HTML][HTML] Consistent kinetic–continuum dissociation model I. Kinetic formulation
In this article, we propose a generalized non-equilibrium chemical kinetics model from ab
initio simulation data obtained using accurate potential energy surfaces developed recently …
initio simulation data obtained using accurate potential energy surfaces developed recently …
Quasi-classical trajectory analysis of three-body collision induced recombination in neutral nitrogen and oxygen
We present theory and a simulation framework to model three-body collisions and gas
phase recombination in dilute atom/diatom mixtures of pure oxygen (O/O 2) and nitrogen …
phase recombination in dilute atom/diatom mixtures of pure oxygen (O/O 2) and nitrogen …
Direct molecular simulation of rovibrational relaxation and chemical reactions in air mixtures
View Video Presentation: https://doi. org/10.2514/6.2022-1010. vid We present direct
molecular simulations (DMS) of internal energy relaxation in air mixtures. We extract …
molecular simulations (DMS) of internal energy relaxation in air mixtures. We extract …
Application of DeepOnet to model inelastic scattering probabilities in air mixtures
View Video Presentation: https://doi. org/10.2514/6.2021-3144. vid Hypersonic conditions
during (re-) entry flight demand accurate representation of the non-equilibrium flow physics …
during (re-) entry flight demand accurate representation of the non-equilibrium flow physics …
Nonequilibrium dissociation and recombination models for hypersonic flows
A recombination reaction model for high-temperature chemical kinetics is analytically
derived from ab initio simulation data. When atoms recombine, the kinetic rate model shows …
derived from ab initio simulation data. When atoms recombine, the kinetic rate model shows …
A non-equilibrium dissociation and vibrational relaxation model for computational fluid dynamics simulations of flows with shock waves
Y Gorbachev, O Kunova, G Shoev - Physics of Fluids, 2021 - pubs.aip.org
Gasdynamic equations describing a vibrationally non-equilibrium flow of a chemically
reacting binary mixture A 2/A are derived within the previously proposed general approach …
reacting binary mixture A 2/A are derived within the previously proposed general approach …