Analysis of chemistry models for DSMC simulations of the atmosphere of Io

H. Deng, T. Ozawa, D. A. Levin

Research output: Contribution to journalArticlepeer-review


Hypervelocity chemical reactions between SO2 and O are studied using the molecular dynamic/quasi-classicaltrajectory method for conditions relevant to the modeling of the rarefied atmosphere of Io, a moon of Jupiter. The implementation of both molecular dynamic/quasi-classical-trajectory and total-collisional-energy chemistry reaction models in direct simulation Monte Carlo is studied in a zero-dimensional time-dependent analysis and a twodimensional axisymmetric direct simulation Monte Carlo simulation to model a simple planetary flow condition. The molecular dynamic/quasi-classical- trajectory simulations were found to result in lower reaction rate constants and reaction probabilities than the total-collisional-energy model, and the vibrational favoring feature of theSO2+ O← SO+ 2O reaction was revealed. The total collision cross section using the more general viscosity cross section was also obtained through the molecular dynamic/quasi-classical- trajectory simulations and was found to have a significantly different energy dependence compared with the original variable hard sphere cross section. For the twodimensional direct simulation Monte Carlo simulations it was found that the structure of the flow as well as the chemically formed sulfur oxide were different for the molecular dynamic/quasi-classical-trajectory and the totalcollisional-energy reaction probabilities and total cross sections. In addition, the reaction region was found to be highly nonequilibrium, which suggests that molecular dynamic/quasi-classical trajectory is a more suitable chemistry model for the simulation of Io's atmosphere.

Original languageEnglish (US)
Pages (from-to)36-46
Number of pages11
JournalJournal of thermophysics and heat transfer
Issue number1
StatePublished - 2012
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Aerospace Engineering
  • Mechanical Engineering
  • Fluid Flow and Transfer Processes
  • Space and Planetary Science


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