Curtin University Homepage
  • Library
  • Help
    • Admin

    espace - Curtin’s institutional repository

    JavaScript is disabled for your browser. Some features of this site may not work without it.
    View Item 
    • espace Home
    • espace
    • Curtin Research Publications
    • View Item
    • espace Home
    • espace
    • Curtin Research Publications
    • View Item

    The interstellar gas-phase formation of CO2 - Assisted or not by water molecules?

    Access Status
    Fulltext not available
    Authors
    Rohl, Andrew
    Talbi, D.
    Chandler, G.
    Date
    2006
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Rohl, Andrew and Talbi, D. and Chandler, G.S.. 2006. The interstellar gas-phase formation of CO2 - Assisted or not by water molecules? Chemical Physics 320 (2-3): 214-228.
    Source Title
    Chemical Physics
    DOI
    10.1016/j.chemphys.2005.07.033
    Faculty
    Department of Applied Chemistry
    Division of Engineering, Science and Computing
    Faculty of Science
    Remarks

    Copyright 2005 Elsevier B.V. All rights reserved.

    URI
    http://hdl.handle.net/20.500.11937/32293
    Collection
    • Curtin Research Publications
    Abstract

    Using state of the art methods of quantum chemistry, potential energy surfaces for the formation of CO2 (superscript 1 sigma superscript + subscript g)and CO2 (superscript 3 B subscript 2) from CO + O (superscript 1 D) and CO + O (superscript 3 P), respectively, have been studied. At the MRSDCI level, we show that the formation of CO2 (superscript 1 sigma superscript + subscript g) from O (superscript 3 P) is strongly connected with the height of the barrier localized on the CO + O (superscript 3 P) entrance channel. At the CCSD(T) level with a large basis set we calculate this barrier to be 5.9 kcal/mol. Consequently, we confirm that the gas-phase formation of CO2 in interstellar molecular clouds is inefficient. To mimic the formation of CO2, through the Eley-Rideal mechanism, on the water ice surfaces of interstellar grains, we have extended our study to consider the formation of CO2 in the presence of water molecules. We show, using density functional and CCSD(T) methods, that the barrier located on the CO + O (superscript 3 P) reaction entrance channel is hardly affected by the presence of water molecules. We therefore suggest that CO2 formation, through the Eley-Rideal mechanism, on the water ice surfaces of interstellar grains, should be inefficient too.

    Related items

    Showing items related by title, author, creator and subject.

    • Size exclusion chromatography as a tool for natural organic matter characterisation in drinking water treatment
      Allpike, Bradley (2008)
      Natural organic matter (NOM), ubiquitous in natural water sources, is generated by biogeochemical processes in both the water body and in the surrounding watershed, as well as from the contribution of organic compounds ...
    • Isotopic and elemental tracers in ice and snow as indicators of source regions of aerosols and changing environmental conditions
      Burn, Laurie (2009)
      Pioneering studies of lead (Pb) concentrations in polar ice by Clair C. Patterson and co-workers (e.g. Murozumi et al., 1969; Boutron and Patterson, 1983, 1986) revealed important information on climatic changes dating ...
    • Nutrient Dynamics in an Integrated Prawn (Penaeus latisulcatus Kishouye 1896) and Macroalgae (Sargassum sp.) culture system
      Mai, Huong (2009)
      Rapid global expansion of the aquaculture industry has prompted the need for development of techniques for effective environmental management. In intensive aquaculture, effluents have resulted in environmental degradation ...
    Advanced search

    Browse

    Communities & CollectionsIssue DateAuthorTitleSubjectDocument TypeThis CollectionIssue DateAuthorTitleSubjectDocument Type

    My Account

    Admin

    Statistics

    Most Popular ItemsStatistics by CountryMost Popular Authors

    Follow Curtin

    • 
    • 
    • 
    • 
    • 

    CRICOS Provider Code: 00301JABN: 99 143 842 569TEQSA: PRV12158

    Copyright | Disclaimer | Privacy statement | Accessibility

    Curtin would like to pay respect to the Aboriginal and Torres Strait Islander members of our community by acknowledging the traditional owners of the land on which the Perth campus is located, the Whadjuk people of the Nyungar Nation; and on our Kalgoorlie campus, the Wongutha people of the North-Eastern Goldfields.