What is it about?
We present the first application of the method of isotope substitution in neutron diffraction to aqueous solutions at pressures extending into the gigapascal pressure regime. The method gives detailed information on the solvation of the chloride ions.
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Photo by Yannis Papanastasopoulos on Unsplash
Why is it important?
We combine neutron diffraction with molecular dynamics simulations employing a force field that is validated against the measured equation of state and diffraction results. Our findings map the pressure and temperature induced changes to the structure (including the ion speciation), dynamics (diffusion coefficients and ion-water binding times) and exchange mechanisms that are important for understanding the role of extreme conditions in geochemical processes.
Perspectives
Outlines the methodology for investigating geofluids in situ under hydrothermal conditions
Professor Philip S Salmon
University of Bath
Read the Original
This page is a summary of: Structure and dynamics of aqueous NaCl solutions at high temperatures and pressures, The Journal of Chemical Physics, November 2021, American Institute of Physics,
DOI: 10.1063/5.0067166.
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Resources
Studying salty water under extreme conditions
Video describing the research
Exploring Salty Water Structure to Understand Carbon Sequestration in Deep Aquifers
AIP Scilight
Putting the fizz into salty water
University of Bath press release
Exploring Salty Water Structure to Understand Carbon Sequestration in Deep Aquifers
Institut Laue-Langevin press release
Data sets for “Structure and dynamics of aqueous NaCl solutions at high temperatures and pressures"
Data sets used to prepare Figures 1-11, 13-16, 18-19, 21-23, 25-26, 28, 30-31, S1-S9 and S12 in the Journal of Chemical Physics article entitled "Structure and dynamics of aqueous NaCl solutions at high temperatures and pressures." The data sets refer to the structure and dynamics of a solution of 5 molal NaCl in heavy water (D2O).
Contributors
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