Prediction of radiative forcing values for hydrofluoroethers using density functional theory methods

Paul Blowers, Dena Marie Moline, Kyle Franklin Tetrault, R'nld Ruth Wheeler, Shane Lee Tuchawena

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

In this work, we use computational chemistry at the B3LYP/6-31g* level of theory combined with Pinnock's cloudy sky instantaneous radiative transfer model to predict radiative forcing for hydrofluoroether compounds. We validate our predictive ability using the 27 values of cloudy sky radiative forcing reported in the literature before populating a database of 25 other hydrofluoroethers where no radiative forcing data is available. These additional compounds were selected because kinetic data are available for them and one could predict global warming potentials using the work reported here. Copynght 2007 by the American Geophysical Union.

Original languageEnglish (US)
Article numberD15108
JournalJournal of Geophysical Research: Space Physics
Volume112
Issue number15
DOIs
StatePublished - Aug 16 2007

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Computational chemistry
radiative forcing
Radiative transfer
Global warming
Density functional theory
density functional theory
Kinetics
sky
prediction
predictions
computational chemistry
global warming
radiative transfer
kinetics
method

ASJC Scopus subject areas

  • Geochemistry and Petrology
  • Geophysics
  • Earth and Planetary Sciences (miscellaneous)
  • Space and Planetary Science
  • Atmospheric Science
  • Astronomy and Astrophysics
  • Oceanography

Cite this

Prediction of radiative forcing values for hydrofluoroethers using density functional theory methods. / Blowers, Paul; Moline, Dena Marie; Tetrault, Kyle Franklin; Wheeler, R'nld Ruth; Tuchawena, Shane Lee.

In: Journal of Geophysical Research: Space Physics, Vol. 112, No. 15, D15108, 16.08.2007.

Research output: Contribution to journalArticle

Blowers, Paul ; Moline, Dena Marie ; Tetrault, Kyle Franklin ; Wheeler, R'nld Ruth ; Tuchawena, Shane Lee. / Prediction of radiative forcing values for hydrofluoroethers using density functional theory methods. In: Journal of Geophysical Research: Space Physics. 2007 ; Vol. 112, No. 15.
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