Structure of hot dense liquid carbon dioxide

DOI

We propose to study the structure of liquid CO2 by neutron diffraction under high pressure and high temperatures to 6 GPa / 800 K. Carbon dioxide belongs to the most fundamental molecular systems known. The presence of a molecular quadrupole terms is expected to lead to strong orientational correlations with the formation of ¿T-shaped¿ CO2 dimers predicted by molecular dynamics simulations. Previously granted beamtime has allowed to develop the techniques and to collect preliminary data up to 2 GPa which show the feasibility of such a study. The data analysis will be carried out using the EPSR algorithm similar to our previous study on hot dense liquid water (PRL 96, 067801 (2006)).

Identifier
DOI https://doi.org/10.5286/ISIS.E.24003121
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24003121
Provenance
Creator Dr Frederic Datchi; Professor Richard Nelmes; Dr John Loveday; Dr Malcolm Guthrie; Dr Stefan Klotz; Dr Strassle; Dr Craig Bull; Mr Julien Philippe
Publisher ISIS Neutron and Muon Source
Publication Year 2011
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2008-02-18T08:56:56Z
Temporal Coverage End 2008-12-05T10:02:15Z