[HTML][HTML] Ab initio-informed maximum entropy modeling of rovibrational relaxation and state-specific dissociation with application to the O2+ O system

M Kulakhmetov, M Gallis, A Alexeenko - The Journal of chemical …, 2016 - pubs.aip.org
Quasi-classical trajectory (QCT) calculations are used to study state-specific ro-vibrational
energy exchange and dissociation in the O 2+ O system. Atom-diatom collisions with energy …

Multiquantum transitions in oxygen and nitrogen molecules in hypersonic nonequilibrium flows

E Josyula, CJ Suchyta III, P Vedula… - Journal of Thermophysics …, 2019 - arc.aiaa.org
A computational fluid dynamics analysis was performed with state-to-state kinetics of oxygen
and nitrogen for assessing the influence of vibrational excitation and dissociation on …

Maximum entropy modeling of oxygen vibrational excitation and dissociation

J Hao, CY Wen - Physical Review Fluids, 2019 - APS
The vibrational excitation and dissociation of oxygen are modeled using different
approaches with a range of fidelity, including the conventional two-temperature model, the …

State-to-state kinetic modeling of select air species in hypersonic nonequilibrium flows

E Josyula, C Suchyta, K Vogiatzis, YY Khine… - 47th AIAA …, 2017 - arc.aiaa.org
The presence of a strong shock wave encountered in high-speed flight presents
considerable challenges for accurate numerical simulation of the flowfield surrounding the …

Upscaling ab-initio chemistry models to non-equilibrium flow simulations

MF Kulakhmetov - 2016 - search.proquest.com
Thermo-chemical nonequilibrium is generated by hypersonic vehicles, high-speed
combustion, detonations, and other devices that rapidly heat the gas, as in shock waves …

Ab initio based state specific modeling of N2+ O System

H Luo - 2016 - docs.lib.purdue.edu
Nitrogen and atomic oxygen play an important role in high temperature gas systems. Their
Zeldovich reaction product nitric oxide not only affects aerothermal loads and emissions of …