Prof. Dr. Sergey Churakov

Laboratory Head
Telefon
+41 56 310 41 13
Paul Scherrer Institute PSI
Forschungsstrasse 111
5232 Villigen PSI
Switzerland
Digitale Visitenkarte




Education

2001 PhD thesis "Physical-chemical properties of complex natural fluids" (TU Berlin)

1997 M.S. Diploma in Applied Mathematics, Moscow State University

1996 M.S. Diploma in Geochemistry, Moscow State University

Experience

Since 2015 Full Professor of Mineralogy at the University of Bern

Since 2014 Head of Laboratory for Waste Management, PSI

2008 - 2015 Head of Transport Modelling Group, Laboratory for Waste Management, PSI

2004 - 2008 Research Scientist, Laboratory for Waste Management, PSI

2003 - 2004 Research Scientist in the Laboratoty of the Computational Chemistry and Applied Bioscience, ETHZ

2002 - 2003 Research Scientist at the Centro Svizzero di Calcolo, CSCS-Manno.

Research Interests

Multi-scale geochemical modelling of the transport and thermodynamic processes in porous media.

Ab initio and classical atomistic simulations of fluids, solids and fluid-solid interfaces, surface adsorption, chemical reactions on mineral surfaces.

Thermodynamic equilibrium in multi-component fluids at high pressures and temperatures.

Theoretical approaches in fluid phase equilibrium.

 

Heinrich W., Churakov S.V., Gottschalk M. (2004) Mineral-fluid equilibria in the system CaO-MgO-SiO2-H2O-CO2-NaCl and the record of reactive fluid flow in contact metamorphic oreols. Contrib. Miner. Petrol. 148(2), 131-149. [Link]


Churakov S.V., Iannuzzi M. and Parrinello M. (2004) Ab-initio study of dehydroxylation carbonation reaction on brucite surface. J Phys. Chem. B 108(31) 11567-11574. [Link]

Churakov S.V. and Wunder B. (2004) Ab-initio calculations of the proton location in topaz-OH, Al2SiO4(OH)2. Phys. Chem. Min. 31(3) 131-141. [Link]

Churakov S.V. and Gottschalk M. (2003) Perturbation theory based equation of state for polar molecular fluids. II Fluid mixtures. Geochimica et Cosmochimica Acta 67(13), 2415-2425.[Link]

Churakov S.V. and Gottschalk M. (2003) Perturbation theory based equation of state for polar molecular fluids. I Pure fluids. Geochimica et Cosmochimica Acta 67(13), 2397-2414. [Link]

Churakov S.V., Khisina N.R., Urusov V.S. and Wirth R. (2003) First principle study of (MgH2SiO4)•n(Mg2SiO4) hydrous olivine structures. I. Crystal structure modeling of hydrous olivine Hy-2a (MgH2SiO4) x 3(Mg2SiO4). Phys. Chem. Min. 30(1), 1-11. [Link]

Kalinichev A.G. and Churakov S.V. (2001) Thermodynamics and structure of molecular clusters in supercritical water. Fluid Phase Equilibria 183-184, 271-278.[Link]

Frolova T.I., Plechov P.Yu., Tikhomirov P.L. and Churakov S.V. (2001) Melt Inclusions in Minerals of Allivalites of the Kuril-Kamchatka Island Arc. Geochemistry International, 39(4), 336-346.

Churakov S.V., Tkachenko S.I., Korzhinskii M.A., Bocharnikov R.E. & Shmulovich K.I. (2000) Evolution of Composition of High-Temperature Fumarolic Gases from Kudryavy Volcano, Iturup, Kuril Islands: the Thermodynamic Modeling. Geochemistry International, 38(5), 436-451.

Churakov S.V. and Kalinichev A.G. (2000) Size structure and abundance of molecular clusters in supercritical water over a wide range of densities: Monte-Carlo simulations. In: Tremaine, P.R, Hill, P.G., Irish, D.E., and Balakrishman, P.V. (Editors). 2000. Steam, Water, and Hydrothermal systems: Physics and Chemistry Meeting the Needs of Industry. NRC Research Press, Ottawa, Canada. 418-425.

Churakov S.V. and Kalinichev A.G. (1999) Size and structure of molecular clusters in supercritical water. Journal of Structural Chemistry, 40(4), 548-553.

Kalinichev A.G. and Churakov S.V. (1999) Size and topology of molecular clusters in supercritical water: A molecular dynamics simulation. Chemical Physics Letters (302) 5-6, 411-417. [Link]

Shmulovich K.I. and Churakov S.V. (1998) Natural fluid phases at high temperatures and low pressures. Journal of Geochemical Exploration, 62, 183-191. [Link]

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