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SUPCRTBL: A revised and extended thermodynamic dataset and software package of SUPCRT92

Kurt Zimmer, Yilun Zhang, Peng Lu, Yanyan Chen, Guanru Zhang, Mehmet Dalkilic, Chen Zhu
2016 Computers & Geosciences  
The new thermodynamic 31 dataset and the modified SUPCRT92 program were implemented in a software package called 32 SUPCRTBL, which is available online at 33 Keywords  ...  , and reactions for a wide range of temperatures and pressures.  ...  Conclusions and Remarks 332 There is little doubt that the development of SUPCRT92 software package and affiliated 333 thermodynamic datasets has greatly contributed for making geochemical calculations  ... 
doi:10.1016/j.cageo.2016.02.013 fatcat:dajof3gjrjb5rajuvfhjetqw4e

CHNOSZ: Thermodynamic Calculations and Diagrams for Geochemistry

Jeffrey M. Dick
2019 Frontiers in Earth Science  
However, there are limited choices of software packages for thermodynamic calculations and diagrams commonly used in hydrothermal geochemistry.  ...  Accessible and up-to-date software and databases are important for the development and reproducible application of thermodynamic models.  ...  calculations, Alysia Cox, Kristin Johnson, and Everett Shock for discussions and opportunities to present the package to new users, the CRAN volunteers for their diagnostic checks and providing a wonderful  ... 
doi:10.3389/feart.2019.00180 fatcat:ehkitlyesja7zfrobac4e7a6va

Evaluation and refinement of thermodynamic databases for mineral carbonation

Martin Voigt, Chiara Marieni, Deirdre E. Clark, Sigurður R. Gíslason, Eric H. Oelkers
2018 Energy Procedia  
than ~ 90 °C; ii) a lack of direct solubility measurements of numerous sulfide and silicate minerals; iii) systematic solubility underestimates for kaolinite and brucite.  ...  Thermodynamic models are often used to quantify fluid-rock interactions. The validity of such models critically depends on the accuracy of the thermodynamic database used.  ...  Acknowledgements This research has been carried out within the CarbFix2 project that has received funding from the European Union's Horizon 2020 research and innovation program under grant agreement No  ... 
doi:10.1016/j.egypro.2018.07.012 fatcat:yg6a4vtpv5e6zlj2fvtczs5s3u

Hydrothermal spinel, corundum and diaspore in lower oceanic crustal troctolites from the Hess Deep Rift

Toshio Nozaka, Romain Meyer, Robert P. Wintsch, Bryan Wathen
2016 Contributions to Mineralogy and Petrology  
Corundum and diaspore occur mainly at the rims of green spinel grains with a texture suggesting a sequential replacement of spinel by corundum, and then corundum by diaspore.  ...  ratios, it is likely that the stabilization of spinel was caused by the loss of Ca 2+ and SiO 2 (aq) in high-temperature hydrothermal fluids.  ...  Our special thanks go to the shipboard scientists, staff and crew of IODP Expedition 345 for scientific discussions, technical support and a successful voyage.  ... 
doi:10.1007/s00410-016-1266-4 fatcat:57ujgckb6vdvhawnudwfhec5na

Rapid reactions between CO2, brine and silicate minerals during geological carbon storage: Modelling based on a field CO2 injection experiment

Mike Bickle, Niko Kampman, Hazel Chapman, Chris Ballentine, Benoit Dubacq, Albert Galy, Tule Sirikitputtisak, Oliver Warr, Max Wigley, Zheng Zhou
2017 Chemical Geology  
of CO 2 injection in a five spot pattern for enhanced oil recovery at the Salt Creek field, Wyoming.  ...  This allows estimation of the CO 2 partial pressures in the sampled fluids and comparison with the thermodynamic driving force for the relatively rapid average plagioclase dissolution rates of ~ 10 -12  ...  the Salt Creek field during injection of noble gas spikes, Chen Zhu (Indiana) for updating the SupcrtBL data set spronsbl.dat with Al-F species, Vicki Stamp at RMOTC for facilitating fluid sampling at  ... 
doi:10.1016/j.chemgeo.2017.07.031 fatcat:xwbjd3i25bbzzmd4moe5nugjxa