Hydrogen-isotope fractionation in aluminum hydroxides: Synthesis products versus natural samples from bauxites

First-principles calculation of H/D isotopic fractionation between hydrous minerals and water

“…6. The experimental data of Vitali et al (2001) have been obtained from synthesis experiments including some performed over several years (up to 10). Given the large experimental uncertainties, the calculated fractionation law corrected by Eq.…”

“…Symbols are experimental data. Open circles: Chen et al (1988); open squares: Lawrence and Taylor (1972); closed triangles: Vitali et al (2001): at 9 and 24°C: second sampling (Table 2); at 51°C: first sampling (Table 1).…”

“…First-principles calculation of H/D isotopic fractionation noted by Vitali et al (2001) is related to experimental uncertainties and difficulties to reach equilibrium at lower temperature. The isotopic composition of hydrogen in gibbsite could therefore be used in low-temperature paleothermometry.…”

“…Based on this general agreement, all calculated laws were empirically corrected with reference to brucite/water data. These considerations suggest that the experimental or natural calibrations by Xu and Zheng (1999) and Horita et al (2002) (brucite/water), Gilg and Sheppard (1996) (kaolinite/water), Wenner and Taylor (1973) (lizardite/water), and in some extents Vitali et al (2001) (gibbsite/water) are representative of equilibrium fractionations. Besides, internal isotopic fractionation of hydrogen between inner-surface and inner hydroxyl groups has been computed for kaolinite and lizardite.…”

Oxygen isotope fractionation factors involving cassiterite (SnO2): I. calculation of reduced partition function ratios from heat capacity and X-ray resonant studies

“…Synthesis of a mineral in the laboratory and direct analysis of coexisting mineral and water (synthesis method) (e.g., O'Neil, 1986;Vitali et al, 2001).…”