Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant

Sahai, Nita; Schoonen, Martin A.

doi:10.1089/ast.2019.2158

Title: Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant

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Abstract

We report that discrepancies have been noted in the solubility constant values of calcium phosphate minerals between various databases employed in widely-used aqueous speciation calculation software programs. This can cause serious errors in the calculated speciation of waters using these software programs. The aim of the present communication was to bring to light these discrepancies. Experimental determinations of the hydroxyapatite solubility product vary by as much as ten orders of magnitude as a result of experimental challenges related to the presence of impurities in the hydroxyapatite used, incongruent dissolution and the contamination of solutions with dissolved carbon dioxide. Finally, it is suggested that the value used in the database Thermo.dat is consistent with experimental data devoid of common experimental problems, while other common databases use values that lead to a vastly overestimated solubility of hydroxyapatite.

Authors:

Sahai, Nita ^[1];

^[2]

Univ. of Akron, OH (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)

Publication Date:: 2019-12-27

Research Org.:: Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1593271

Report Number(s):: BNL-213548-2020-JAAM
Journal ID: ISSN 1531-1074

Grant/Contract Number:: SC0012704

Resource Type:: Accepted Manuscript

Journal Name:: Astrobiology

Additional Journal Information:: Journal Volume: 20; Journal Issue: 1; Journal ID: ISSN 1531-1074

Publisher:: Mary Ann Liebert, Inc.

Country of Publication:: United States

Language:: English

Subject:: 58 GEOSCIENCES

Citation Formats


                    Sahai, Nita, and Schoonen, Martin A. Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant.  United States: N. p., 2019. 
Web.  doi:10.1089/ast.2019.2158.

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                    Sahai, Nita, & Schoonen, Martin A. Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant.  United States.  https://doi.org/10.1089/ast.2019.2158

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                    Sahai, Nita, and Schoonen, Martin A. Fri .  
"Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant".  United States.  https://doi.org/10.1089/ast.2019.2158.  https://www.osti.gov/servlets/purl/1593271.

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@article{osti_1593271,

  title        = {Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant},

  author       = {Sahai, Nita and Schoonen, Martin A.},

  abstractNote = {We report that discrepancies have been noted in the solubility constant values of calcium phosphate minerals between various databases employed in widely-used aqueous speciation calculation software programs. This can cause serious errors in the calculated speciation of waters using these software programs. The aim of the present communication was to bring to light these discrepancies. Experimental determinations of the hydroxyapatite solubility product vary by as much as ten orders of magnitude as a result of experimental challenges related to the presence of impurities in the hydroxyapatite used, incongruent dissolution and the contamination of solutions with dissolved carbon dioxide. Finally, it is suggested that the value used in the database Thermo.dat is consistent with experimental data devoid of common experimental problems, while other common databases use values that lead to a vastly overestimated solubility of hydroxyapatite.},

  doi          = {10.1089/ast.2019.2158},

  journal      = {Astrobiology},

  number       = 1,

  volume       = 20,

  place        = {United States},

  year         = {2019},

  month        = {12}

}

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