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

Publisher
British Geological Survey (BGS)
Updated
28 August 2026
Topic
Not set
Licence
Not set

Summary

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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Citation Information - Digital Object Identifier (DOI) 28/8/2026
Data 28/8/2026

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Additional information

Source Metadata
XML, HTML
Date added
28 August 2026
Harvest GUID
c0175a72-5fda-39f0-e054-002128a47908
Dataset reference date (creation)
2021-03-18
Frequency of update
notApplicable
Access constraints
The copyright of materials derived from the British Geological Survey's work is vested in the Natural Environment Research Council [NERC]. No part of this work may be reproduced or transmitted in any form or by any means, or stored in a retrieval system of any nature, without the prior permission of the copyright holder, via the BGS Intellectual Property Rights Manager. Use by customers of information provided by the BGS, is at the customer's own risk. In view of the disparate sources of information at BGS's disposal, including such material donated to BGS, that BGS accepts in good faith as being accurate, the Natural Environment Research Council (NERC) gives no warranty, expressed or implied, as to the quality or accuracy of the information supplied, or to the information's suitability for any use. NERC/BGS accepts no liability whatever in respect of loss, damage, injury or other occurence however caused.
Responsible party
University College London (originator, principalInvestigator); British Geological Survey (distributor, pointOfContact)
ISO 19139 resource type
nonGeographicDataset
Metadata language
eng

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