Free energy calculations of noble-gas containing liquid iron and silicate melt (NERC Grant NE/S01134X/1)

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Provided by British Geological Survey (BGS)

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Dataset information

Catalog

British Geological Survey (BGS) catalog

Country of origin

United Kingdom

Updated

Created

Available languages

English

Keywords

Rare gases, NERC_DDC

Datasource

Official portal for European data link

Quality scoring

Dataset description

Free energy calculations of noble-gas containing liquid iron and silicate melts at 50 GPa (3500 K) and 135 GPa (4200 K). The chemical potentials of noble gases can be obtained from these calculations. The Gibbs free energy of a series of iron and silicate melts with different concentrations of He were calculated. Then the chemical potentials of He can be derived from the concentration dependent Gibbs free energies. The chemical potentials of Ne, Ar, Kr and Xe were calculated by using the alchemical free energy method, where one He was converted to Ne, Ar, Kr or Xe gradually.

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2019

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