Structure of hot dense liquid carbon dioxide


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)).

Metadata Access
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;
OpenAccess true
Contact isisdata(at)
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2008-02-18T08:56:56Z
Temporal Coverage End 2008-12-05T10:02:15Z