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- W4200358081 endingPage "103888" @default.
- W4200358081 startingPage "103888" @default.
- W4200358081 abstract "PHREEQC is a geochemical computer code developed by the United States Geological Survey and used to model mineral solubilities, aqueous solutions, and water-rock interactions over a large range of conditions. This easy-to-use and open-source program is widely used in the fields of geochemistry, environmental science and engineering, petroleum industry, mining and chemical engineering and biogeochemistry. However, the quality of the modeling depends on the experience of the modeler, and the quality of thermodynamic data available for the code, which is addressed in this review. The authors of the PHREEQC program clearly stated that the choice of thermodynamic data files (TDFs) is the responsibility of the user. Thirteen, mostly “third party”, TDFs are distributed along with the software release without detailed documentation or critical evaluation. The quality of the TDFs varies with a wide spectrum of the internal consistency of the thermodynamic data, comprehensiveness of the chemical components and species, the temperature-pressure coverage of log K values, activity coefficient models suitable for ionic strength, and traceability of the sources of data. In this review, we provide some basic documentation, evaluate and compare these TDFs, and attempt to outline the limits of their applicability. We also used the TDFs to model examples of river water, seawater, groundwater, oil-field brine, and selected mineral solubility data for some oxides, oxy-hydroxides, hydroxides, aluminosilicates, carbonates, and sulfates. These comparisons clearly demonstrate that, with the same PHREEQC computer code but a different TDF, significantly different modeling results can be produced. It is imperative that users specify which TDF they used when referring to their modeling results." @default.
- W4200358081 created "2021-12-31" @default.
- W4200358081 creator A5019503886 @default.
- W4200358081 creator A5033130017 @default.
- W4200358081 creator A5061671357 @default.
- W4200358081 creator A5084753403 @default.
- W4200358081 date "2022-02-01" @default.
- W4200358081 modified "2023-10-18" @default.
- W4200358081 title "Comparison of thermodynamic data files for PHREEQC" @default.
- W4200358081 cites W1570853523 @default.
- W4200358081 cites W1964614041 @default.
- W4200358081 cites W1966434426 @default.
- W4200358081 cites W1969051824 @default.
- W4200358081 cites W1970143939 @default.
- W4200358081 cites W1970207830 @default.
- W4200358081 cites W1972125845 @default.
- W4200358081 cites W1972595903 @default.
- W4200358081 cites W1973763290 @default.
- W4200358081 cites W1976119057 @default.
- W4200358081 cites W1976773605 @default.
- W4200358081 cites W1984942285 @default.
- W4200358081 cites W1985101989 @default.
- W4200358081 cites W1985395814 @default.
- W4200358081 cites W1987578021 @default.
- W4200358081 cites W1988449517 @default.
- W4200358081 cites W1989678446 @default.
- W4200358081 cites W1990858969 @default.
- W4200358081 cites W1991472276 @default.
- W4200358081 cites W1993267423 @default.
- W4200358081 cites W1994314750 @default.
- W4200358081 cites W1996186171 @default.
- W4200358081 cites W1997144723 @default.
- W4200358081 cites W2000126176 @default.
- W4200358081 cites W2007913907 @default.
- W4200358081 cites W2009513081 @default.
- W4200358081 cites W2009951444 @default.
- W4200358081 cites W2014188371 @default.
- W4200358081 cites W2014901561 @default.
- W4200358081 cites W2015420670 @default.
- W4200358081 cites W2018304277 @default.
- W4200358081 cites W2018978373 @default.
- W4200358081 cites W2019374675 @default.
- W4200358081 cites W2022530924 @default.
- W4200358081 cites W2023675918 @default.
- W4200358081 cites W2024292789 @default.
- W4200358081 cites W2026635970 @default.
- W4200358081 cites W2030134340 @default.
- W4200358081 cites W2030947318 @default.
- W4200358081 cites W2032273617 @default.
- W4200358081 cites W2034522930 @default.
- W4200358081 cites W2035695555 @default.
- W4200358081 cites W2035968301 @default.
- W4200358081 cites W2045404421 @default.
- W4200358081 cites W2046488131 @default.
- W4200358081 cites W2047223613 @default.
- W4200358081 cites W2048004953 @default.
- W4200358081 cites W2048555478 @default.
- W4200358081 cites W2048822944 @default.
- W4200358081 cites W2050815362 @default.
- W4200358081 cites W2051688967 @default.
- W4200358081 cites W2057122658 @default.
- W4200358081 cites W2057959706 @default.
- W4200358081 cites W2060027402 @default.
- W4200358081 cites W2063617651 @default.
- W4200358081 cites W2064640147 @default.
- W4200358081 cites W2066527077 @default.
- W4200358081 cites W2068656183 @default.
- W4200358081 cites W2068714502 @default.
- W4200358081 cites W2068764982 @default.
- W4200358081 cites W2072014794 @default.
- W4200358081 cites W2075907503 @default.
- W4200358081 cites W2075992470 @default.
- W4200358081 cites W2078288112 @default.
- W4200358081 cites W2079286250 @default.
- W4200358081 cites W2081258920 @default.
- W4200358081 cites W2082916272 @default.
- W4200358081 cites W2085254005 @default.
- W4200358081 cites W2085613746 @default.
- W4200358081 cites W2085868618 @default.
- W4200358081 cites W2087067573 @default.
- W4200358081 cites W2091410624 @default.
- W4200358081 cites W2094343018 @default.
- W4200358081 cites W2105779189 @default.
- W4200358081 cites W2109313402 @default.
- W4200358081 cites W2111473359 @default.
- W4200358081 cites W2129288307 @default.
- W4200358081 cites W2131817581 @default.
- W4200358081 cites W2160835451 @default.
- W4200358081 cites W2160866493 @default.
- W4200358081 cites W2161088329 @default.
- W4200358081 cites W2163300242 @default.
- W4200358081 cites W2165030918 @default.
- W4200358081 cites W2167984121 @default.
- W4200358081 cites W2168649638 @default.
- W4200358081 cites W2217112629 @default.
- W4200358081 cites W2277533213 @default.
- W4200358081 cites W2315892471 @default.
- W4200358081 cites W2317593604 @default.