Cited by 3,779Groundwater and Isotope GeochemistryGroundwater flow and contamination studiesWater Quality and Resources Studies

Description of input and examples for PHREEQC version 3: A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations

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Parkhurst, David L., Appelo, C.A.J.·2013·Techniques and Methods

Abstract

Chapter 43 of Section A, Groundwater Book 6, Modeling Techniques 1 0 320 seconds Distance, in centimeters Distance, in centimeters 10 10 5 0 0 5 0 Cerium(4), in millimoles per liter Cover Techniques and Methods 6-A43 U.S. Department of the Interior U.S

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Integrity signals

Registry

Crossref · 10.3133/tm6a43

Cites

61 of 61 references verified0 citation errors · 0 not checkable

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  • The minteq.v4.dat database shows a log_Ksp of −10.58, while the phreeqc.dat database has a log_Ksp of −11.13 for rhodochrosite.

    “For instance, whereas the minteq.v4.dat database [36] showed a log_Ksp of − 10.58, the phreeqc.dat database had a log_Ksp of − 11.13 [21, 37].”

    From Dissolution and solubility of calcite-rhodochrosite solid solutions [(Ca1-xMnx)CO3] at 25 °C (2021) · cites this paper as [21]

    The Introduction (p. 9) describes the supplied databases as compilations of equilibrium constants, and the Description of Data Input (p. 23) explains how log K is defined. Neither passage gives a rhodochrosite value; searches for “rhodochrosite,” “MnCO3,” and “−11.13” found no value in our truncated copy. The −10.58 value is attached to a different citation in the citing sentence. (LLM, conf=0.72)

    Experimental — accuracy not yet measured
  • The minteq.v4.dat and phreeqc.dat databases show a log_Ksp of −8.48 for CaCO3.

    “For instance, both the minteq.v4.dat database and the phreeqc.dat database showed a log_Ksp of − 8.48 [21, 36, 37].”

    From Dissolution and solubility of calcite-rhodochrosite solid solutions [(Ca1-xMnx)CO3] at 25 °C (2021) · cites this paper as [21]

    The Capabilities of PHREEQC Version 3 section identifies phreeqc.dat and minteq.v4.dat as databases, and Description of Data Input (p. 23) explains how log K values are defined. Neither passage, nor the additional searches for −8.48 and calcite solubility, gives a CaCO3 log Ksp value for either database. Our copy is truncated, so the claimed value cannot be verified from it. (LLM, conf=0.74)

    Experimental — accuracy not yet measured

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Cites

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Research works printed but not linked: 8

  1. [32]32. Atkins, P.W., and de Paula, Julio, 2002, Atkin's physical chemistry (7th ed.): Oxford, United Kingdom, Oxford University Press, 1,149 p.
  2. [37]37. Bradley, D.J., and Pitzer, K.S., 1979, Thermodynamics of electrolytes-12. Dielectric properties of water and Debye-Hueckel parameters to 350 °C and 1 kbar: Journal of Physical Chemistry, v. 83, p. 1599-1603.
  3. [49]49. Drummond, S.E., 1981, Boiling and mixing of hydrothermal fluids-Chemical effects on mineral precipitation: University Park, Penn., Pennsylvania State University, Ph.D. thesis, 760 p.
  4. [55]55. of Melchior, D.C., and Bassett, R.L., eds., Chemical modeling of aqueous systems II: Washington, D.C., American Chemical Society Symposium Series 416, chap. 6, p. 74-86.
  5. [57]57. Glynn, P.D., and Parkhurst, D.L., 1992, Modeling non-ideal solid-solution aqueous-solution reactions in mass-transfer computer codes, in Kharaka, Y.K., and Maest, A.S., eds., Proceedings of the 7th International Symposium on Water-Rock Interaction, July 13-18, 1992: Park City, Utah, Rotterdam, Balkema, p. 175-179.
  6. [82]82. Pitzer, K.S., 1973, Thermodynamics of electrolytes-1. Theoretical basis and general equations: Journal of Physical Chemistry, v. 77, no. 2, p. 268-277.
  7. [88]88. Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978, The kinetics of calcite dissolution in CO 2 -water systems at 5 to 60 °C and 0.0 to 1.0 atm CO 2 : American Journal of Science, v. 278, p. 179-216.
  8. [105]105. Tebes-Stevens, Caroline, and Valocchi, A.J., 1997, Reactive transport simulation with equilibrium speciation and kinetic biodegradation and adsorption/desorption reactions: A Workshop on Subsurface Reactive Transport Modeling, Pacific Northwest National Laboratory, Richland, Washington, October 29-November 1, 1997.

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Authors
Parkhurst, D. L., & Appelo, C. A. J.
Affiliations
United States Geological Survey (US)
Venue
Techniques and Methods
Published
2013
ISSN
  • 2328-7047 (ISSN-L)
  • 2328-7055
OpenAlex
W1251722559
Cited by
3,779
References
61
Citations by year
2026: 194 · 2025: 369 · 2024: 386 · 2023: 391 · 2022: 418 · 2021: 370 · 2020: 374 · 2019: 293 · 2018: 228 · 2017: 259 · 2016: 216 · 2015: 158 · 2014: 88 · 2013: 25 · 2012: 6
Type
report
Language
en
Open access
Locations
Techniques and methods (publishedVersion)
Topics
  • Physical Sciences › Earth and Planetary Sciences › Geochemistry and Petrology › Groundwater and Isotope Geochemistry
  • Physical Sciences › Environmental Science › Environmental Engineering › Groundwater flow and contamination studies
  • Physical Sciences › Environmental Science › Water Science and Technology › Water Quality and Resources Studies
Keywords
PHREEQC, speciation calculations, one-dimensional transport, hydrogeochemistry, input file format, cerium(IV)

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