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

Merlin Méheut  Michele Lazzeri  Etienne Balan  Francesco Mauri 《Geochimica et cosmochimica acta》2010,74(14):3874-3882

Hydrogen fractionation laws between selected hydrous minerals (brucite, kaolinite, lizardite, and gibbsite) and perfect water gas have been computed from first-principles quantum-mechanical calculations. The β-factor of each phase was calculated using the harmonic phonon dispersion curves obtained within density functional theory. All the fractionation laws show the same shape, with a minimum between 200 °C (brucite) and 500 °C (gibbsite). At low temperatures, the mineral/liquid water fractionation laws have been obtained using the experimental gas/liquid water fractionation laws. The resulting fractionation laws systematically overestimate measurements by 15‰ at low temperatures to 8‰ at ≈400 °C. 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. The obtained fractionation is large, of opposite sign for the two systems (respectively, −23‰ and +63‰ at 25 °C) and is linear in T^-2. Internal fractionation of hydrogen in TO phyllosilicates might thus be used in geothermometry.  相似文献   

Hydrogeochemistry of Roccamonfina volcano (Southern Italy)   总被引：1，自引：1，他引：0  

Emilio Cuoco  Giuseppe Verrengia  Stefano De Francesco  Dario Tedesco 《Environmental Earth Sciences》2010,61(3):525-538

This is the first hydro-geochemical investigation carried out on the Roccamonfina Volcanic Complex groundwaters. The chemistry of Roccamonfina waters is defined by water–rock and water–rock–gas interactions. In fact, interactions between rocks of the first eruptive high-K formations and circulating groundwaters are recognized by high K concentrations. On the other hand, inverse concentration of calcium versus alkali metals is related to two different rock interactions occurring in different areas of the volcano: (a) within the caldera where groundwaters flow within latite and pyroclastic formations releasing calcium, and (b) similarly at the base of the volcano where groundwaters flowing from surrounding carbonates got strongly enriched in Ca. These geochemical processes are also associated with K (SE of caldera) and Mg/Ca (in sites located at the NE base of the volcano) decrease. Completely different dynamics occurs at Riardo groundwaters (SE). Here waters are the result of a mix between the Roccamonfina deep aquifer and the carbonate aquifer of the Riardo plain. Rich-CO₂ emissions make these waters strongly mineralized. Minor elements show a similar geochemical behavior of major ions and are crucial defining interactions processes. The evolution of Roccamonfina groundwaters is also evident along the simultaneous enrichment of Ba, Sr, and Ca. Ba increase is the result of deep local carbonate alteration enhanced by CO₂ emissions and, the lower Sr/Ca ratio, from 10 to 2 (ppb/ppm), is also due to the same process. In the light of our results the Roccamonfina aquifer can be schematically divided into two main reservoirs: (a) a superficial aquifer which basically follows the volcanic structure morphology and tectonics and (b) a deeper reservoir, originating within the oldest Roccamonfina volcano ultra potassic lavas and then flowing into the carbonate aquifers of the neighboring plain. Eventually, the chemistry of the Roccamonfina aquifer does not show any specific and visible pollution, contrary to what happens in the volcano surrounding plains. In fact, only 14% of the samples we collected (206) show a NO₃ content >30 mg/l. These sites are all located at the base of the volcano, near the plain.  相似文献   

Estimation of hydraulic parameters in a heterogeneous low-lying farmland near Venice     

Ester Zancanaro  Claudia Zoccarato  Francesco Morari  Pietro Teatini 《水文研究》2023,37(1):e14791

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Use of interaction domains for a displacement-based design of caisson foundations     

Rosati  A.  Gaudio  D.  di Prisco  C.  Rampello  S. 《Acta Geotechnica》2023,18(1):445-468

Acta Geotechnica - Caisson foundations, typically adopted for both onshore and offshore structures, are usually subject to combined loading acting during working conditions and exceptional events...  相似文献