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TitaniQ under pressure: the effect of pressure and temperature on the solubility of Ti in quartz
Authors:Jay B. Thomas  E. Bruce Watson  Frank S. Spear  Philip T. Shemella  Saroj K. Nayak  Antonio Lanzirotti
Affiliation:(1) Department of Earth and Environmental Sciences, Rensselaer Polytechnic Institute, 110 8th St., Troy, NY 12180, USA;(2) Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180, USA;(3) National Synchrotron Light Source, Brookhaven National Laboratory, The University of Chicago—CARS, Upton, NY 11973, USA
Abstract:Quartz and rutile were synthesized from silica-saturated aqueous fluids between 5 and 20 kbar and from 700 to 940°C in a piston-cylinder apparatus to explore the potential pressure effect on Ti solubility in quartz. A systematic decrease in Ti-in-quartz solubility occurs between 5 and 20 kbar. Titanium K-edge X-ray absorption near-edge structure (XANES) measurements demonstrate that Ti4+ substitutes for Si4+ on fourfold tetrahedral sites in quartz at all conditions studied. Molecular dynamic simulations support XANES measurements and demonstrate that Ti incorporation onto fourfold sites is favored over interstitial solubility mechanisms. To account for the PT dependence of Ti-in-quartz solubility, a least-squares method was used to fit Ti concentrations in quartz from all experiments to the simple expression
RTlnXtextTiO 2 textquartz = - 60952 + 1.520 ·T(K) - 1741 ·P(kbar) + RTlnatextTiO 2 RTln X_{{{text{TiO}}_{ 2} }}^{text{quartz}} = - 60952 + 1.520 cdot T(K) - 1741 cdot P(kbar) + RTln a_{{{text{TiO}}_{ 2} }}
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