Thermodynamic characterization of synthetic lead-arsenate apatites with different halogen substitutions

Puzio, Bartosz; Zhang, Lei; Szymanowski, Jennifer E. S.; Burns, Peter C.; Manecki, Maciej

doi:10.2138/am-2020-7452

Thermodynamic characterization of synthetic lead-arsenate apatites with different halogen substitutions

Journal Article · 03 April 2023 · American Mineralogist

DOI:https://doi.org/10.2138/am-2020-7452· OSTI ID:2419175

^[1]; Zhang, Lei; Szymanowski, Jennifer E. S.; ; Manecki, Maciej

OSTI

Abstract

Thermodynamic parameters have been measured for synthetic analogs of the mimetite-group minerals Pb5(AsO4)3X (X = OH, Cl, Br, I) belonging to the apatite supergroup. Phases precipitated from aqueous solutions under ambient conditions with well characterized structures and compositions were studied. For each phase, dissolution enthalpy was experimentally determined by oxide melt drop solution calorimetry in a molten solvent of sodium molybdate (3Na2O·4MoO3) at 976 K. The enthalpy of formation from the elements ΔHf,elo was calculated using thermochemical cycles and was −3030.6 ± 11.5, −3026.6 ± 15.8, −2967.6 ± 25.0, and −2993.1 ± 12.2 kJ/mol for Pb5.00(AsO4)3.00OH0.86(CO3)0.07, Pb5.00(AsO4)3.00Cl0.80(CO3)0.10, Pb5.00(AsO4)3.00Br0.80(CO3)0.10, and Pb5.00(AsO4)3.00I0.45OH0.35(CO3)0.10, respectively. These ΔHf,elo values exhibit typical trends for apatites: they increased (were less negative) with the increasing molar mass and ionic radius of X and decreased with the electronegativity and ionization energy of X. The compilation and comparison of data for Ca-, Pb-, P-, and As-apatites revealed correlations indicating that thermodynamic enthalpic stability is largely influenced by chemical factors (e.g., differences in electronegativities of the elements, ionization energy, or ionic characteristics of the bonds) and to a lesser extent by physical and geometric parameters in the crystal structure related to the mass and size of the X anion. Using the correlations, it was possible to estimate the value of hitherto unknown ΔHf,elo for Pb5(AsO4)3F, −3144.3 ± 66.5 kJ/mol. The observed relationships apply to the entire apatite supergroup and can be used to predict the values of ΔHf,elo for phases that have not been studied experimentally. The new data on environmentally significant phases will contribute to the modeling of mineral-water interactions, particularly for potential use in the remediation of soils and wastes contaminated with Pb and As and in the immobilization of radioactive waste containing I-129.

Research Organization:: University of Notre Dame, IN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: FG02-07ER15880

OSTI ID:: 2419175

Journal Information:: American Mineralogist, Journal Name: American Mineralogist Journal Issue: 4 Vol. 108; ISSN 0003-004X

Publisher:: Mineralogical Society of America

Country of Publication:: United States

Language:: English

References (49)

Lead in Water and Soil: Speciation, Toxicity, and Treatment Technologies Manecki, Maciej Encyclopedia of Water: Science, Technology, and Society https://doi.org/10.1002/9781119300762.wsts0230	book	January 2019
Progress and new directions in high temperature calorimetry Navrotsky, Alexandra Physics and Chemistry of Minerals, Vol. 2, Issue 1-2 https://doi.org/10.1007/BF00307526	journal	January 1977
Decrease of Pb bioavailability in solis by addition of phosphate ions Manecki, Maciej; Bogucka, Anna; Bajda, Tomasz Environmental Chemistry Letters, Vol. 3, Issue 4 https://doi.org/10.1007/s10311-005-0030-1	journal	January 2006
Energetics of anhydrite, barite, celestine, and anglesite: a high-temperature and differential scanning calorimetry study Majzlan, J.; Navrotsky, A.; Neil, J. M. Geochimica et Cosmochimica Acta, Vol. 66, Issue 10 https://doi.org/10.1016/S0016-7037(01)00881-X	journal	May 2002
Progress and New Directions in Calorimetry: A 2014 Perspective Navrotsky, Alexandra Journal of the American Ceramic Society, Vol. 97, Issue 11 https://doi.org/10.1111/jace.13278	journal	October 2014
Effect of carbonate incorporation on the hydroxyl content of hydroxylapatite Pasteris, J. D.; Yoder, C. H.; Sternlieb, M. P. Mineralogical Magazine, Vol. 76, Issue 7 https://doi.org/10.1180/minmag.2012.076.7.08	journal	December 2012
Geochemical applications of the simple salt approximation to the lattice energies of complex materials Yoder, C. H. American Mineralogist, Vol. 90, Issue 2-3 https://doi.org/10.2138/am.2005.1537	journal	February 2005
Carbonate substitution in lead hydroxyapatite Pb5(PO4)3OH Kwaśniak-Kominek, M.; Manecki, M.; Matusik, J. Journal of Molecular Structure, Vol. 1147 https://doi.org/10.1016/j.molstruc.2017.06.111	journal	November 2017
Fourier transform infrared spectroscopic study of hydroxylpyromorphite Pb10(PO4)6OH2–hydroxylmimetite Pb10(AsO4)6(OH)2 solid solution series Kwaśniak-Kominek, Monika; Matusik, Jakub; Bajda, Tomasz Polyhedron, Vol. 99 https://doi.org/10.1016/j.poly.2015.07.002	journal	October 2015
Thermodynamic Properties of Uranyl Minerals: Constraints from Calorimetry and Solubility Measurements Shvareva, Tatiana Y.; Fein, Jeremy B.; Navrotsky, Alexandra Industrial & Engineering Chemistry Research, Vol. 51, Issue 2 https://doi.org/10.1021/ie2002582	journal	June 2011
Pb remobilization by bacterially mediated dissolution of pyromorphite Pb5(PO4)3Cl in presence of phosphate-solubilizing Pseudomonas putida Topolska, Justyna; Latowski, Dariusz; Kaschabek, Stefan Environmental Science and Pollution Research, Vol. 21, Issue 2 https://doi.org/10.1007/s11356-013-1968-3	journal	July 2013
Radionuclide removal by apatite Rigali, Mark J.; Brady, Patrick V.; Moore, Robert C. American Mineralogist, Vol. 101, Issue 12 https://doi.org/10.2138/am-2016-5769	journal	December 2016
Lattice Energies and Unit Cell Volumes of Complex Ionic Solids Glasser, Leslie; Jenkins, H. Donald Brooke Journal of the American Chemical Society, Vol. 122, Issue 4 https://doi.org/10.1021/ja992375u	journal	January 2000
Solubility of mimetite Pb5(AsO4)3Cl at 5 - 55°C Bajda, Tomasz Environmental Chemistry, Vol. 7, Issue 3 https://doi.org/10.1071/EN10021	journal	January 2010
Progress and new directions in high temperature calorimetry revisited Navrotsky, Alexandra Physics and Chemistry of Minerals, Vol. 24, Issue 3 https://doi.org/10.1007/s002690050035	journal	April 1997
Iodine Confinement into Metal–Organic Frameworks (MOFs): Low-Temperature Sintering Glasses To Form Novel Glass Composite Material (GCM) Alternative Waste Forms Sava, Dorina F.; Garino, Terry J.; Nenoff, Tina M. Industrial & Engineering Chemistry Research, Vol. 51, Issue 2 https://doi.org/10.1021/ie200248g	journal	May 2011
Pyromorphite formation and stability after quick lime neutralisation in the presence of soil and clay sorbents Chappell, Mark A.; Scheckel, Kirk G. Environmental Chemistry, Vol. 4, Issue 2 https://doi.org/10.1071/EN06081	journal	January 2007
Experimental thermochemistry of neptunium oxides: Np2O5 and NpO2 Zhang, Lei; Dzik, Ewa A.; Sigmon, Ginger E. Journal of Nuclear Materials, Vol. 501 https://doi.org/10.1016/j.jnucmat.2017.10.034	journal	April 2018
Spark plasma sintering-densified vanadinite apatite-based chlorine waste forms with high thermal stability and chlorine confinement Lei, Penghui; Yao, Tiankai; Gong, Bowen Journal of Nuclear Materials, Vol. 528 https://doi.org/10.1016/j.jnucmat.2019.151857	journal	January 2020
Estimating the thermodynamic properties of phosphate minerals at high and low temperature from the sum of constituent units [Estimating the thermodynamic properties of phosphate minerals at high and low temperature from the sum of constituent units] La Iglesia, A. Estudios Geológicos, Vol. 65, Issue 2 https://doi.org/10.3989/egeol.39849.060	journal	October 2009
Reversible Iodine Capture by Nonporous Pillar[6]arene Crystals Jie, Kecheng; Zhou, Yujuan; Li, Errui Journal of the American Chemical Society, Vol. 139, Issue 43 https://doi.org/10.1021/jacs.7b09850	journal	October 2017
A Technological Gem: Materials, Medical, and Environmental Mineralogy of Apatite Rakovan, J. F.; Pasteris, J. D. Elements, Vol. 11, Issue 3 https://doi.org/10.2113/gselements.11.3.195	journal	June 2015
Solubility of pyromorphite Pb5(PO4)3Cl–mimetite Pb5(AsO4)3Cl solid solution series Flis, Justyna; Manecki, Maciej; Bajda, Tomasz Geochimica et Cosmochimica Acta, Vol. 75, Issue 7 https://doi.org/10.1016/j.gca.2011.01.021	journal	April 2011
Point of Zero Charge: Role in Pyromorphite Formation and Bioaccessibility of Lead and Arsenic in Phosphate-Amended Soils Karna, Ranju; Noerpel, Matthew; Luxton, Todd Soil Systems, Vol. 2, Issue 2 https://doi.org/10.3390/soilsystems2020022	journal	April 2018
Research on Influencing Factors of Adiabatic Coating Performance Cao, Guang Yuan; Guo, Han Jie; Li, Lin Advanced Materials Research, Vol. 936 https://doi.org/10.4028/www.scientific.net/AMR.936.1035	journal	June 2014
Arsenate substitution in lead hydroxyl apatites: A Raman spectroscopic study Giera, Alicja; Manecki, Maciej; Bajda, Tomasz Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 152 https://doi.org/10.1016/j.saa.2015.07.015	journal	January 2016
Synthesis, characterization and thermochemistry of synthetic Pb–As, Pb–Cu and Pb–Zn jarosites Forray, Ferenc Lázár; Smith, A. M. L.; Navrotsky, A. Geochimica et Cosmochimica Acta, Vol. 127 https://doi.org/10.1016/j.gca.2013.10.043	journal	February 2014
Coupled substitution of type A and B carbonate in sodium-bearing apatite Fleet, Michael E.; Liu, Xi Biomaterials, Vol. 28, Issue 6 https://doi.org/10.1016/j.biomaterials.2006.11.003	journal	February 2007
A comprehensive guide to experimental and predicted thermodynamic properties of phosphate apatite minerals in view of applicative purposes Drouet, Christophe The Journal of Chemical Thermodynamics, Vol. 81 https://doi.org/10.1016/j.jct.2014.09.012	journal	February 2015
Effect of Apatite Amendments on Plant Uptake of Lead from Contaminated Soil Laperche, Valérie; Logan, Terry J.; Gaddam, Pranitha Environmental Science & Technology, Vol. 31, Issue 10 https://doi.org/10.1021/es961011o	journal	October 1997
The structure of mimetite, arsenian pyromorphite and hedyphane – A Raman spectroscopic study Frost, Ray L.; Bouzaid, Jocelyne M.; Palmer, Sara Polyhedron, Vol. 26, Issue 13 https://doi.org/10.1016/j.poly.2007.01.038	journal	August 2007
SGTE data for pure elements Dinsdale, A. T. Calphad, Vol. 15, Issue 4 https://doi.org/10.1016/0364-5916(91)90030-N	journal	October 1991
Accommodation of the carbonate ion in lead hydroxyl arsenate (hydroxylmimetite) Pb5(AsO4)3OH Lempart, M.; Manecki, M.; Kwaśniak-Kominek, M. Polyhedron, Vol. 161 https://doi.org/10.1016/j.poly.2019.01.027	journal	March 2019
High-level radioactive waste from light-water reactors Cohen, Bernard L. Reviews of Modern Physics, Vol. 49, Issue 1 https://doi.org/10.1103/RevModPhys.49.1	journal	January 1977
Corrosion interactions between stainless steel and lead vanado-iodoapatite nuclear waste form part I Guo, Xiaolei; Wang, Yachun; Yao, Tiankai npj Materials Degradation, Vol. 4, Issue 1 https://doi.org/10.1038/s41529-020-0117-y	journal	May 2020
Lattice Energies of Apatites and the Estimation of ΔH_f°(PO₄³^-, g) Flora, Natalie J.; Yoder, Claude H.; Jenkins, H. Donald Brooke Inorganic Chemistry, Vol. 43, Issue 7 https://doi.org/10.1021/ic030255o	journal	March 2004
Removal of arsenic from wastewaters and stabilization of arsenic bearing waste solids: Summary of experimental studies Twidwell, L. G.; Plessas, K. O.; Comba, P. G. Journal of Hazardous Materials, Vol. 36, Issue 1 https://doi.org/10.1016/0304-3894(93)E0054-6	journal	January 1994
Apatite Thermochemistry: The Simple Salt Approximation Glasser, Leslie Inorganic Chemistry, Vol. 58, Issue 19 https://doi.org/10.1021/acs.inorgchem.9b02343	journal	September 2019
Lead orthophosphates—IV Formation and stability in the environment Nriagu, Jerome O. Geochimica et Cosmochimica Acta, Vol. 38, Issue 6 https://doi.org/10.1016/0016-7037(74)90062-3	journal	June 1974
Bleiverbindungen mit Apatitstruktur, insbesondere Blei-Jod- und Blei-Brom-Apatite Merker, Ludwig; Wondratschek, Hans Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 300, Issue 1-2 https://doi.org/10.1002/zaac.19593000104	journal	May 1959
Standard molar enthalpies of formation of hydroxy-, chlor-, and bromapatite Cruz, Fernando J. A. L.; Minas da Piedade, Manuel E.; Calado, Jorge C. G. The Journal of Chemical Thermodynamics, Vol. 37, Issue 10 https://doi.org/10.1016/j.jct.2005.01.010	journal	October 2005
Structurally Robust, Chemically Diverse: Apatite and Apatite Supergroup Minerals Hughes, J. M.; Rakovan, J. F. Elements, Vol. 11, Issue 3 https://doi.org/10.2113/gselements.11.3.165	journal	June 2015
Highly Efficient Iodine Capture by Layered Double Hydroxides Intercalated with Polysulfides Ma, Shulan; Islam, Saiful M.; Shim, Yurina Chemistry of Materials, Vol. 26, Issue 24 https://doi.org/10.1021/cm5036997	journal	December 2014
Applied predictive thermodynamics (ThermAP). Part 2. Apatites containing Ni2+, Co2+, Mn2+, or Fe2+ ions Drouet, Christophe The Journal of Chemical Thermodynamics, Vol. 136 https://doi.org/10.1016/j.jct.2015.06.016	journal	September 2019
In Situ Formation of Lead Phosphates in Soils as a Method to Immobilize Lead Ruby, Michael V.; Davis, Andy.; Nicholson, Andrew. Environmental Science & Technology, Vol. 28, Issue 4 https://doi.org/10.1021/es00053a018	journal	April 1994
Cold sintering and durability of iodate-substituted calcium hydroxyapatite (IO-HAp) for the immobilization of radioiodine Hassan, Muhmood ul; Ryu, Ho Jin Journal of Nuclear Materials, Vol. 514 https://doi.org/10.1016/j.jnucmat.2018.11.024	journal	February 2019
Standard enthalpy, entropy and Gibbs free energy of formation of «A» type carbonate phosphocalcium hydroxyapatites Jebri, Sonia; Khattech, Ismail; Jemal, Mohamed The Journal of Chemical Thermodynamics, Vol. 106 https://doi.org/10.1016/j.jct.2016.10.035	journal	March 2017
Thermodynamic Properties for Arsenic Minerals and Aqueous Species Nordstrom, D. K.; Majzlan, J.; Konigsberger, E. Reviews in Mineralogy and Geochemistry, Vol. 79, Issue 1 https://doi.org/10.2138/rmg.2014.79.4	journal	January 2014
Effective ionic radii in oxides and fluorides Shannon, R. D.; Prewitt, C. T. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 25, Issue 5 https://doi.org/10.1107/S0567740869003220	journal	May 1969

Similar Records

Lead apatites: structural variations among Pb₅(BO₄)₃ Cl with B = P (pyromorphite), As (mimetite) and V (vanadinite)

Journal Article · 2017 · Journal of Synchrotron Radiation (Online) · OSTI ID:1413321

Structural Assessment of Fluorine, Chlorine, Bromine, Iodine, and Hydroxide Substitutions in Lead Arsenate Apatites (Mimetites)–Pb₅(AsO₄)₃X

Journal Article · 2020 · Minerals · OSTI ID:1755174

Hydroxylpyromorphite, a mineral important to lead remediation: Modern description and characterization

Journal Article · 2021 · American Mineralogist · OSTI ID:1849718

Related Subjects

Geochemistry & Geophysics
Mineralogy

Thermodynamic characterization of synthetic lead-arsenate apatites with different halogen substitutions

Citation Formats

References (49)

Similar Records

Related Subjects