[HTML][HTML] Dynamics of molecular collisions in air and its mean free path

DG Tsalikis, VG Mavrantzas, SE Pratsinis - Physics of Fluids, 2023 - pubs.aip.org
The mechanics and dynamics of molecular collisions in air are investigated by thoroughly
validated atomistic molecular dynamics (MD) simulations that treat oxygen and nitrogen as …

Improved Quantum–Classical Treatment of N2–N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets

Q Hong, L Storchi, Q Sun, M Bartolomei… - Journal of chemical …, 2023 - ACS Publications
In this study, complete (ie, including all vibrational quantum numbers in an N2 vibrational
ladder) data sets of vibration-to-vibration and vibration-to-translation rate coefficients for N2 …

Near-continuum, hypersonic oxygen flow over a double cone simulated by direct simulation Monte Carlo informed from quantum chemistry

P Valentini, MS Grover, AM Verhoff… - Journal of Fluid …, 2023 - cambridge.org
A large-scale, fully resolved direct simulation Monte Carlo (DSMC) computation of a non-
equilibrium, reactive flow of pure oxygen over a double cone is presented. Under the …

Molecular diffusion of mass and energy predicted by ab initio potential energy surfaces for air components at high temperatures

P Valentini, MS Grover, NJ Bisek - Physical Review Fluids, 2024 - APS
The thermal conductivity and self-diffusion coefficients for molecular nitrogen and oxygen
are investigated with the direct molecular simulation (DMS) technique using high-fidelity, ab …

Refractive Index of Diatomic Species for Nonequilibrium Flows

JJ Anaya, A Tropina, R Miles, M Grover - AIAA Aviation 2023 Forum, 2023 - arc.aiaa.org
View Video Presentation: https://doi. org/10.2514/6.2023-3478. vid In this paper we consider
changes in the refractive index at the high-speed flow over the wedge, using a combination …

A new equation for the mean free path of air

DG Tsalikis, VG Mavrantzas… - Aerosol Science and …, 2024 - Taylor & Francis
A recent rigorous methodology for determining the mean free path, λ, of air at ambient
conditions [Tsalikis, DG, Mavrantzas, VG, & Pratsinis, SE (2023). Physics of Fluids, 35 …

Interferometry analysis and CARS measurements of nonequilibrium in hypersonic oxygen/argon and pure oxygen flows

JJ Anaya, NS Manavi, AA Tropina, A Dogariu… - Experiments in …, 2024 - Springer
In this article we explore (a) optical and (b) thermochemical properties of reactive hypersonic
flows, with an emphasis on oxygen dynamics and time resolved measurement capabilities …

Ab initio-based two-temperature transport property model for hypersonic non-equilibrium flows

M Nidharia, S Mane, TK Mankodi - Physics of Fluids, 2024 - pubs.aip.org
The study of flow around a hypersonic re-entry vehicle at higher altitudes is crucial due to
the interplay between the high degree of non-equilibrium, relaxation phenomena, and …

Validity of Stokes' hypothesis for near-continuum hypersonic flows

P Valentini, MS Grover, NJ Bisek - Physics of Fluids, 2024 - pubs.aip.org
The alternative interpretation of Stokes' hypothesis provided by Buresti [Acta Mech. 226,
3555–3559 (2015)] is investigated by an analysis of a near-continuum, hypersonic flow of …

Global Potential Energy Surfaces by Compressed‐State Multistate Pair‐Density Functional Theory for Hyperthermal Collisions in the O2+O2 System

J Jiang, J Yang, Q Hong, Q Sun, J Li - ChemPhysChem, 2024 - Wiley Online Library
Interactions between oxygen molecules play an important role in atmospheric chemistry and
hypersonic flow chemistry in atmospheric entries. Recently, high‐quality ab initio potential …