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

University of Dayton Research Institute, 1700 South Patterson Boulevard, Dayton, Ohio 45469, USA

Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, Minnesota 55455, USA

NASA Ames Research Center, Moffett Field, California 94035, USA

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

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Phys. Rev. Fluids 7, 123401 – Published 8 December, 2022

DOI: https://doi.org/10.1103/PhysRevFluids.7.123401

Abstract

In this article we present a comparative atomic level study analyzing the vibrational excitation and dissociation of molecular nitrogen due to $N_{2} (^{1} Σ_{g}^{+}) + N (^{4} S_{u})$ and $N_{2} (^{1} Σ_{g}^{+}) + N_{2} (^{1} Σ_{g}^{+})$ interactions governed by independently developed potential energy surfaces at the University of Minnesota and NASA Ames Research Center. Vibrational excitation was studied for $N_{2} + N_{2}$ interactions from $T = 10 000$ to $25 000$ K and for $N_{2} + N$ from $T = 5000$ to $30 000$ K. Nonequilibrium dissociation is studied from $T = 10 000$ to $30 000$ K under the quasi-steady-state condition for $N_{2} + N_{2}$ and $N_{2} + N$ 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.

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

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