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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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.


Outlines the methodology for investigating geofluids in situ under hydrothermal conditions

Professor Philip S Salmon
University of Bath

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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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