First principles simulation of reacting hypersonic flow over a blunt wedge

Author:

Grover Maninder S.12ORCID,Verhoff Ashley M.2ORCID,Valentini Paolo12ORCID,Bisek Nicholas J.2ORCID

Affiliation:

1. University of Dayton Research Institute 1 , 1700 S Patterson Blvd., Dayton, Ohio 45409, USA

2. Air Force Research Laboratory 2 , Wright-Patterson Air Force Base, Ohio 45433, USA

Abstract

This article presents molecular-level analysis of a reactive, near-continuum, Mach 21 nitrogen flow over a blunt wedge using the direct molecular simulation (DMS) method. The flow conditions lead to internal energy excitation and dissociation in the flow field, resulting in thermal and chemical nonequilibrium in the flow. Thermal nonequilibrium in the vibrational mode is observed to extend to the molecular level, where the vibrational energy distributions at various points in the flow field are observed to be non-Boltzmann. Furthermore, this is the first reactive DMS calculation where the wall is assumed to be isothermal and full momentum accommodation of the particles is enforced, hence incorporating viscous wall effects. Since the DMS method uses a quantum mechanically generated interaction potential as its only modeling input, all thermochemical and transport properties of the flow field can directly be attributed to the ab initio potential energy surface. Using the DMS solution as a benchmark, this article assesses the performance of Navier–Stokes computational fluid dynamics solutions using lower fidelity two-temperature models. Two models are chosen as points of comparison: the well-known Park two-temperature model and the recently developed modified Marrone and Treanor model.

Funder

Air Force Research Laboratory

Argonne National Laboratory

Publisher

AIP Publishing

Subject

Condensed Matter Physics,Fluid Flow and Transfer Processes,Mechanics of Materials,Computational Mechanics,Mechanical Engineering

Reference68 articles.

1. Rate effects in hypersonic flows;Annu. Rev. Fluid Mech.,2019

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3. Dynamics of nitrogen dissociation from direct molecular simulation;Phys. Rev. Fluids,2016

4. Dissociation and internal excitation of molecular nitrogen due to N2–N collisions using direct molecular simulation,2017

5. Direct molecular simulation of nitrogen dissociation under adiabatic postshock conditions;J. Thermophys. Heat Transfer,2020

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