The Duan Group http://www.geochem-model.org Computational geochemistry, molecular geochemistry, thermodynamics of fluids and minerals. Interplay between geochemistry and modern physical-chemistry research Group Fri, 13 Nov 2009 07:34:33 +0000 http://backend.userland.com/rss092 en The processes in the Earth interior and carbon cycle The first workshop for "Deep Carbon Cycle" was held at the Institute of Geology and Geophysics, Chinese Academy of Sciences, Nov 11,2009 Scientists from Carnegie Institution of Washington, China University of Geosciences, Peking University, Institute of Atmospheric Physics, CAS, Guangzhou Institute of Geochemistry,CAS and our institute attended this workshop. http://www.geochem-model.org/?p=1496 The Viscosity of Aqueous Alkali-Chloride Solutions up to 623 K, 1,000 bar, and High Ionic Strength Vis_mao_duan_2009gAbstract An accurate viscosity (dynamic viscosity) model is developed for aqueous Abstract alkali-chloride solutions of the binary systems, LiCl–H2O, NaCl–H2O, and KCl– H2O, from 273K to 623 K, and from 1 bar to 1,000 bar and up to high ionic strength. The valid ionic strengths for the LiCl–H2O, NaCl–H2O, and KCl–H2O systems are 0 to ... http://www.geochem-model.org/?p=1456 A vapor–liquid phase equilibrium model for binary CO2–H2O and CH4–H2O systems above 523K for application to fluid inclusions Shide Mao, Zhenhao Duan and Wenxuan Hu(2009) A vapor–liquid phase equilibrium model for binary CO2–H2O and CH4–H2O systems above 523K for application to fluid inclusions.The Journal of Supercritical Fluids, 50 (2009): 13-21.60-JSF-2009-50-13 http://www.geochem-model.org/?p=762 A model for C-O-H fluid in the Earth’s mantle Chi Zhang and Zhenhao Duan. (2009) A model for C-O-H fluid in the Earth's mantle .Geochimica et Cosmochimica Acta., 73 (7): 2089-2102. http://www.geochem-model.org/?p=760 The structure, dynamics and solvation mechanisms of ions in water from long time molecular dynamics simulations: a case study of CaCl2 (aq) aqueous solutions Mingyan Li,Zhenhao Duan, Zhigang Zhang,Chi Zhang & John Weare (2008) The structure, dynamics and solvation mechanisms of ions in water from long time molecular dynamics simulations: a case study of CaCl2 (aq) aqueous solutions.Molecular Physics, 106 (24): 2685-2697. http://www.geochem-model.org/?p=758 Coupled phase and aqueous species equilibrium of the H2O–CO2–NaCl–CaCO3 system from 0 to 250 C, 1 to 1000 bar with NaCl concentrations up to saturation of halite Zhenhao Duan , Dedong Li (2008) Coupled phase and aqueous species equilibrium of the H2O–CO2–NaCl–CaCO3 system from 0 to 250 C, 1 to 1000 bar with NaCl concentrations up to saturation of halite. Geochim. Cosmochim. Acta, 72 (20): 5128-5145. http://www.geochem-model.org/?p=756 Experimental Measurements of Vapor-Liquid Equilibria of the H2O+CO2+CH4 Ternary System Qin JF, Rosenbauer RJ, and Duan ZH. (2008) Experimental Measurements of Vapor-Liquid Equilibria of the H2O+CO2+CH4 Ternary System.Journal of Chemical & Engineering Data., 53 (6): 1246-1249. http://www.geochem-model.org/?p=754 The P, V, T,x properties of binary aqueous chloride solutions up to T = 573 K and 100 MPa Mao SD, and Duan ZH, (2008) The P, V, T,x properties of binary aqueous chloride solutions up to T = 573 K and 100 MPa. The Journal of Chemical Thermodynamics., 40 (7): 1046-1063. http://www.geochem-model.org/?p=752 Densities of the CO2-H2O and CO2-H2O-NaCl Systems Up to 647 K and 100 MPa Duan ZH, Hu JW, Li DD and Mao SD. (2008) Densities of the CO2-H2O and CO2-H2O-NaCl Systems Up to 647 K and 100 MPa.Energy & Fuels., 22 (3): 1666-1674. http://www.geochem-model.org/?p=750 The speciation equilibrium coupling with phase equilibrium in the H2O-CO2-NaCl system from 0 to 250 °C, from 0 to 1000 bar and from 0 to 5 molality of NaCl Li DD, and Duan ZH, (2007) The speciation equilibrium coupling with phase equilibrium in the H2O-CO2-NaCl system from 0 to 250 °C, from 0 to 1000 bar and from 0 to 5 molality of NaCl. Chemical Geology., 244 (3-4): 730-751. http://www.geochem-model.org/?p=748