Modeling of CO2 homogeneous and heterogeneous condensation plumes

Zheng Li, Jiaqiang Zhong, Deborah A. Levin

Research output: Contribution to journalArticlepeer-review


A pure CO2 homogeneous condensation flow is simulated with a new direct simulation Monte Carlo (DSMC)-based condensation model, and comparisons of the measured [Ramos, A.; Fernández, J. M.; Tejeda, G.; Montero, S. Phys. ReV. A 2005, 72, 3204] and simulated CO2 cluster size and number density distributions were found to agree well for low stagnation pressures. The same carbon dioxide homogeneous condensation model was then applied to the study of an expanding heterogeneous condensation flow of a 5% CO2 and 95% mixture [Williams, W. D.; Lewis, J. W. L. DTIC Paper No. AEDC-TR-80-16, 1980]. To simulate this case, a new kinetic-based model of N 2 molecules condensing on CO2 nuclei was developed using molecular dynamics techniques and was implemented in the DSMC simulation of the expanding mixture. Pure nitrogen flow for the same expansion conditions was observed to not produce any clusters. It was found that incorporation of the heterogeneous condensation process of N2 molecules condensing on CO2 nuclei causes the average N2 cluster size to increase from 10 (the homogeneous condensation result) to about 2000. The simulated Rayleigh scattering intensity results were found to agree well with the experimental data.

Original languageEnglish (US)
Pages (from-to)5276-5286
Number of pages11
JournalJournal of Physical Chemistry C
Issue number12
StatePublished - Apr 1 2010
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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