The dissociation mechanism and thermodynamic properties of HCl(aq) in hydrothermal fluids (to 700 °C, 60 kbar) by ab initio molecular dynamics simulations-Reference-Cited by-同舟云学术

The dissociation mechanism and thermodynamic properties of HCl(aq) in hydrothermal fluids (to 700 °C, 60 kbar) by ab initio molecular dynamics simulations

Published:2018-04 Issue: Volume:226 Page:84-106
ISSN:0016-7037
Container-title:Geochimica et Cosmochimica Acta
language:en
Short-container-title:Geochimica et Cosmochimica Acta

Author:

Mei Yuan,Liu Weihua,Brugger Joël,Sherman David M.,Gale Julian D.

Funder

CSIRO OCE fellowship

Australian Research Council

UK NERC

Australian Government

Government of Western Australia

CSIRO

Publisher

Elsevier BV

Subject

Geochemistry and Petrology

Reference85 articles.

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4. A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory;Bankura;Mol. Phys.,2015

5. Density-functional exchange-energy approximation with correct asymptotic behavior;Becke;Phys. Rev. A, General Phys.,1988

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