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Mei, Yuan, Liu, Weihua, Sherman, David M., Brugger, Joël (2014) Metal complexation and ion hydration in low density hydrothermal fluids: Ab initio molecular dynamics simulation of Cu(I) and Au(I) in chloride solutions (25–1000°C, 1–5000bar) Geochimica et Cosmochimica Acta, 131. 196-212 doi:10.1016/j.gca.2014.01.033

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Reference TypeJournal (article/letter/editorial)
TitleMetal complexation and ion hydration in low density hydrothermal fluids: Ab initio molecular dynamics simulation of Cu(I) and Au(I) in chloride solutions (25–1000°C, 1–5000bar)
JournalGeochimica et Cosmochimica Acta
AuthorsMei, YuanAuthor
Liu, WeihuaAuthor
Sherman, David M.Author
Brugger, JoëlAuthor
Year2014 (April)Volume131
PublisherElsevier BV
DOIdoi:10.1016/j.gca.2014.01.033Search in ResearchGate
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Mindat Ref. ID355832Long-form Identifiermindat:1:5:355832:8
GUID0
Full ReferenceMei, Yuan, Liu, Weihua, Sherman, David M., Brugger, Joël (2014) Metal complexation and ion hydration in low density hydrothermal fluids: Ab initio molecular dynamics simulation of Cu(I) and Au(I) in chloride solutions (25–1000°C, 1–5000bar) Geochimica et Cosmochimica Acta, 131. 196-212 doi:10.1016/j.gca.2014.01.033
Plain TextMei, Yuan, Liu, Weihua, Sherman, David M., Brugger, Joël (2014) Metal complexation and ion hydration in low density hydrothermal fluids: Ab initio molecular dynamics simulation of Cu(I) and Au(I) in chloride solutions (25–1000°C, 1–5000bar) Geochimica et Cosmochimica Acta, 131. 196-212 doi:10.1016/j.gca.2014.01.033
In(2014) Geochimica et Cosmochimica Acta Vol. 131. Elsevier BV

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Mei, Yuan, Sherman, David M., Liu, Weihua, Brugger, Joël (2013) Ab initio molecular dynamics simulation and free energy exploration of copper(I) complexation by chloride and bisulfide in hydrothermal fluids. Geochimica et Cosmochimica Acta, 102. 45-64 doi:10.1016/j.gca.2012.10.027
Mei, Yuan, Sherman, David M., Liu, Weihua, Etschmann, Barbara, Testemale, Denis, Brugger, Joël (2015) Zinc complexation in chloride-rich hydrothermal fluids (25–600 °C): A thermodynamic model derived from ab initio molecular dynamics. Geochimica et Cosmochimica Acta, 150. 265-284 doi:10.1016/j.gca.2014.09.023
Mei, Yuan, Liu, Weihua, Brugger, Joël, Sherman, David M., Gale, Julian D. (2018) The dissociation mechanism and thermodynamic properties of HCl(aq) in hydrothermal fluids (to 700 °C, 60 kbar) by ab initio molecular dynamics simulations. Geochimica et Cosmochimica Acta, 226. 84-106 doi:10.1016/j.gca.2018.01.017
Mei, Yuan, Liu, Weihua, Brugger, Joël, Guan, Qiushi (2020) Gold solubility in alkaline and ammonia-rich hydrothermal fluids: Insights from ab initio molecular dynamics simulations. Geochimica et Cosmochimica Acta, 291. 62-78 doi:10.1016/j.gca.2019.12.031
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Mei, Yuan, Etschmann, Barbara, Liu, Weihua, Sherman, David M., Barnes, Stephen J., Fiorentini, Marco L., Seward, Terry M., Testemale, Denis, Brugger, Joël (2015) Palladium complexation in chloride- and bisulfide-rich fluids: Insights from ab initio molecular dynamics simulations and X-ray absorption spectroscopy. Geochimica et Cosmochimica Acta, 161. 128-145 doi:10.1016/j.gca.2015.04.009
Guan, Qiushi, Mei, Yuan, Etschmann, Barbara, Testemale, Denis, Louvel, Marion, Brugger, Joël (2020) Yttrium complexation and hydration in chloride-rich hydrothermal fluids: A combined ab initio molecular dynamics and in situ X-ray absorption spectroscopy study. Geochimica et Cosmochimica Acta, 281. 168-189 doi:10.1016/j.gca.2020.04.015
Mei, Yuan, Sherman, David M., Liu, Weihua, Brugger, Joël (2013) Complexation of gold in S3−-rich hydrothermal fluids: Evidence from ab-initio molecular dynamics simulations. Chemical Geology, 347. 34-42 doi:10.1016/j.chemgeo.2013.03.019
Sherman, David M. (2007) Complexation of Cu+ in Hydrothermal NaCl Brines: Ab initio molecular dynamics and energetics. Geochimica et Cosmochimica Acta, 71 (3) 714-722 doi:10.1016/j.gca.2006.09.015
Borg, Stacey, Liu, Weihua, Etschmann, Barbara, Tian, Yuan, Brugger, Joël (2012) An XAS study of molybdenum speciation in hydrothermal chloride solutions from 25–385°C and 600bar. Geochimica et Cosmochimica Acta, 92. 292-307 doi:10.1016/j.gca.2012.06.001
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