Three-dimensional analytic probabilities of coupled vibrational-rotational-translational energy transfer for DSMC modeling of nonequilibrium flows

Journal Article · Tue Apr 15 04:00:00 EDT 2014 · Physics of Fluids (1994)

DOI:https://doi.org/10.1063/1.4872336· OSTI ID:22257007

Adamovich, Igor V. ^[1]

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1. Nonequilibrium Thermodynamics Laboratory, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)

A three-dimensional, nonperturbative, semiclassical analytic model of vibrational energy transfer in collisions between a rotating diatomic molecule and an atom, and between two rotating diatomic molecules (Forced Harmonic Oscillator–Free Rotation model) has been extended to incorporate rotational relaxation and coupling between vibrational, translational, and rotational energy transfer. The model is based on analysis of semiclassical trajectories of rotating molecules interacting by a repulsive exponential atom-to-atom potential. The model predictions are compared with the results of three-dimensional close-coupled semiclassical trajectory calculations using the same potential energy surface. The comparison demonstrates good agreement between analytic and numerical probabilities of rotational and vibrational energy transfer processes, over a wide range of total collision energies, rotational energies, and impact parameter. The model predicts probabilities of single-quantum and multi-quantum vibrational-rotational transitions and is applicable up to very high collision energies and quantum numbers. Closed-form analytic expressions for these transition probabilities lend themselves to straightforward incorporation into DSMC nonequilibrium flow codes.

• OSTI ID: 22257007
• Journal Information: Physics of Fluids (1994), Journal Name: Physics of Fluids (1994) Journal Issue: 4 Vol. 26; ISSN 1070-6631; ISSN PHFLE6
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
COLLISIONS
COUPLING
ENERGY TRANSFER
IMPACT PARAMETER
MOLECULES
POTENTIAL ENERGY
PROBABILITY
QUANTUM NUMBERS
RELAXATION
ROTATION
SEMICLASSICAL APPROXIMATION
SIMULATION