Global warming potential predictions for hydrofluoroethers with two carbon atoms

Paul Blowers, Kyle Franklin Tetrault, Yirla Trujillo-Morehead

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

Global warming potentials are predicted using computational chemistry and thermodynamics approaches for four hydrofluoroethers where no data have previously been available. We also compare results with the same methodology for six other species. We combine predictions of radiative forcing values from density functional theory computations at the B3LYP/6-31g*level of theory with previous experimentally determined or newly estimated hydroxyl radical-hydrogen abstraction rate constants to obtain these global warming potentials. We find that many of the HFEs studied have lower global warming potentials than the hydrofluorocarbons and chlorofluorocarbons they may soon replace, although other environmental and technical issues may need to be addressed first.

Original languageEnglish (US)
Pages (from-to)369-381
Number of pages13
JournalTheoretical Chemistry Accounts
Volume119
Issue number4
DOIs
StatePublished - Mar 2008

Fingerprint

global warming
Global warming
Carbon
Atoms
carbon
predictions
Chlorofluorocarbons
Computational chemistry
computational chemistry
atoms
chlorofluorocarbons
radiative forcing
hydroxyl radicals
Hydroxyl Radical
Density functional theory
Hydrogen
Rate constants
Thermodynamics
methodology
density functional theory

Keywords

  • Global warming potentials
  • GWP
  • Hydrofluoroethers
  • Quantum chemistry
  • Radiative forcing

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Global warming potential predictions for hydrofluoroethers with two carbon atoms. / Blowers, Paul; Tetrault, Kyle Franklin; Trujillo-Morehead, Yirla.

In: Theoretical Chemistry Accounts, Vol. 119, No. 4, 03.2008, p. 369-381.

Research output: Contribution to journalArticle

Blowers, Paul ; Tetrault, Kyle Franklin ; Trujillo-Morehead, Yirla. / Global warming potential predictions for hydrofluoroethers with two carbon atoms. In: Theoretical Chemistry Accounts. 2008 ; Vol. 119, No. 4. pp. 369-381.
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