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• W4282941900 endingPage "120984" @default.
• W4282941900 startingPage "120984" @default.
• W4282941900 abstract "Over the past half century, techniques for evaluating the thermodynamics of water-rock interactions from ambient to deep Earth conditions have advanced incredibly and in myriad directions. As these tools for analyzing the thermodynamic states of geochemical species as a function of temperature, pressure, and composition have multiplied, so too have the possibilities for tracing water-rock interaction from ambient to deep conditions on Earth and beyond. Yet, the aqueous geochemical community still lacks a centralized platform for incorporating this constantly updating thermodynamic data into aqueous geochemical models. Here, we introduce PyGeochemCalc (PyGCC), a community-driven, open-source Python package that meets this need by providing a consolidated set of functions for calculating the thermodynamic properties of gas, aqueous, and mineral (including solid solutions and variable-formula clays) species, as well as reactions amongst these species, over a broad range of temperature and pressure conditions. The PyGCC package utilizes the revised Helgeson-Kirkham-Flowers (HKF) equation of state, and newly proposed density-based extrapolations based upon it, to calculate the thermodynamic properties of aqueous species; a choice of equations of state and electrostatic models (including the Deep Earth Water (DEW) model) to calculate thermodynamic and dielectric properties of water; and heat capacity functions to calculate thermodynamic properties of minerals and gases. Additionally, PyGCC integrates these functions to generate thermodynamic databases for various geochemical programs, including the Geochemist's Workbench (GWB), EQ3/6, TOUGHREACT, and PFLOTRAN, with straightforward possibilities for extension to other simulators. The various functions in the package can also be modularly utilized, and introduced into other modeling tools, as desired. In this paper, we detail the capabilities of PyGCC and the equations it relies on for calculating thermodynamic properties of water, aqueous species, and gases. Although the fundamental thermodynamic data necessary for state-of-the-science PyGCC calculations will necessarily evolve as our collective geochemical knowledge base expands, PyGCC's open source, community-driven design will allow for users to keep pace via rapid implementation of these advancements in this modern geochemical tool." @default.
• W4282941900 created "2022-06-16" @default.
• W4282941900 creator A5041138289 @default.
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• W4282941900 date "2022-09-01" @default.
• W4282941900 modified "2023-10-06" @default.
• W4282941900 title "PyGeochemCalc: A Python package for geochemical thermodynamic calculations from ambient to deep Earth conditions" @default.
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• W4282941900 cites W1970207830 @default.
• W4282941900 cites W1974579410 @default.
• W4282941900 cites W1976773605 @default.
• W4282941900 cites W1979962566 @default.
• W4282941900 cites W1990536516 @default.
• W4282941900 cites W1992708421 @default.
• W4282941900 cites W1999891846 @default.
• W4282941900 cites W2003461155 @default.
• W4282941900 cites W2008275641 @default.
• W4282941900 cites W2014365296 @default.
• W4282941900 cites W2014583614 @default.
• W4282941900 cites W2015420670 @default.
• W4282941900 cites W2018478404 @default.
• W4282941900 cites W2028010755 @default.
• W4282941900 cites W2030393460 @default.
• W4282941900 cites W2033747660 @default.
• W4282941900 cites W2038075102 @default.
• W4282941900 cites W2042149789 @default.
• W4282941900 cites W2047476280 @default.
• W4282941900 cites W2048050228 @default.
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• W4282941900 cites W2081258920 @default.
• W4282941900 cites W2084699177 @default.
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• W4282941900 doi "https://doi.org/10.1016/j.chemgeo.2022.120984" @default.
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