Coarse-grained model for N2-N relaxation in hypersonic shock conditions using two-dimensional bins

Tong Zhu, Zheng Li, Deborah A. Levin

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A high fidelity internal energy relaxation model for N2-N suitable for use in direct simulation Monte Carlo (DSMC) modeling of chemically reacting flows is proposed. A novel two-dimensional binning approach with variable bin energy resolutions in the rotational and vibrational modes is developed for treating the internal mode of N2. Both bin-to-bin and state-specific relaxation cross sections are obtained using the molecular dynamics/quasi-classical trajectory (MD/QCT) method with two potential energy surfaces as well as the state-specific database of Jaffe et al. The 99 bin model is used in homogeneous DSMC relaxation simulations and is found to be able to recover the state-specific master equation results of Panesi et al. when the Jaffe state-specific cross sections are used. Rotational relaxation energy profiles and relaxation times obtained using the ReaxFF and Jaffe potential energy surfaces (PESs) are in general agreement but there are larger differences between the vibrational relaxation times. These differences become smaller as the translational temperature increases because the difference in the PES energy barrier becomes less important.

Original languageEnglish (US)
Title of host publication30th International Symposium on Rarefied Gas Dynamics, RGD 2016
EditorsHenning Struchtrup, Andrew Ketsdever
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735414488
DOIs
StatePublished - Nov 15 2016
Event30th International Symposium on Rarefied Gas Dynamics, RGD 2016 - Victoria, Canada
Duration: Jul 10 2016Jul 15 2016

Publication series

NameAIP Conference Proceedings
Volume1786
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other30th International Symposium on Rarefied Gas Dynamics, RGD 2016
CountryCanada
CityVictoria
Period7/10/167/15/16

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Fingerprint Dive into the research topics of 'Coarse-grained model for N2-N relaxation in hypersonic shock conditions using two-dimensional bins'. Together they form a unique fingerprint.

  • Cite this

    Zhu, T., Li, Z., & Levin, D. A. (2016). Coarse-grained model for N2-N relaxation in hypersonic shock conditions using two-dimensional bins. In H. Struchtrup, & A. Ketsdever (Eds.), 30th International Symposium on Rarefied Gas Dynamics, RGD 2016 [150008] (AIP Conference Proceedings; Vol. 1786). American Institute of Physics Inc.. https://doi.org/10.1063/1.4967649