Comparative analysis of internal energy excitation and dissociation of nitrogen predicted by independently developed ab initio potential energy surfaces

Maninder S. Grover, Paolo Valentini, Thomas E. Schwartzentruber, Richard L. Jaffe, Nicholas J. Bisek, Ashley M. Verhoff

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Abstract

In this article we present a comparative atomic level study analyzing the vibrational excitation and dissociation of molecular nitrogen due to N2(1ςg+)+N(4Su) and N2(1ςg+)+N2(1ςg+) interactions governed by independently developed potential energy surfaces at the University of Minnesota and NASA Ames Research Center. Vibrational excitation was studied for N2+N2 interactions from T=10000 to 25000 K and for N2+N from T=5000 to 30000 K. Nonequilibrium dissociation is studied from T=10000 to 30000 K under the quasi-steady-state condition for N2+N2 and N2+N interactions. Finally, an inviscid Mach 20 dissociating nitrogen flow over a cylinder with a Knudsen number of 0.015 is carried out to study the impact of molecular interactions predicted by independently developed potential energy surfaces on a canonical hypersonic flow.

Original languageEnglish (US)
Article number123401
JournalPhysical Review Fluids
Volume7
Issue number12
DOIs
StatePublished - Dec 2022
Externally publishedYes

Bibliographical note

Funding Information:
We gratefully acknowledge partial funding by U.S. Air Force Office of Scientific Research (AFOSR) under Grant No. 21RQCOR045. We would like to thank the DOD HPCMP and the Texas Advanced Computing Center. We are grateful for the DOE INCITE grant for providing supercomputing resources for this work. R.L.J. acknowledges NASA Space Technology Directorate Entry Systems Modeling project for support. T.E.S. acknowledges support from the AFOSR under Grant No. FA 9550-19-1-0219. This article was cleared for public release under Case File No. AFRL-2022-2823.

Publisher Copyright:
© 2022 American Physical Society. US.

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