Application of community data to surface complexation modeling framework development: Iron oxide protolysis

Han, Sol-Chan; Chang, Elliot; Zechel, Susanne; Bok, Frank; Zavarin, Mavrik

doi:10.1016/j.jcis.2023.06.054

Application of community data to surface complexation modeling framework development: Iron oxide protolysis

Journal Article · Sat Jun 10 00:00:00 EDT 2023 · Journal of Colloid and Interface Science

DOI:https://doi.org/10.1016/j.jcis.2023.06.054· OSTI ID:1992192

^[1]; ^[1]; ^[2]; ^[2]; Zavarin, Mavrik ^[1]

Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Institute of Resource Ecology, Dresden (Germany). Actinide Thermodynamics Department (FWOA)

This study presents a comprehensive community data-driven surface complexation modeling framework for simulating potentiometric titration of mineral surfaces. Compiled community data for ferrihydrite, goethite, hematite, and magnetite are fit to produce representative protolysis constants that can reproduce potentiometric titration data collected from multiple literature sources. Using this framework, the impact of surface complexation model type and surface site density (SSD) on the fit quality and protolysis constants can be readily evaluated. For example, the non-electrostatic model yielded a poor data fit compared to diffuse double layer model and constant capacitance models due to the absence of known surface charge effects. Regardless of the choice of iron oxide mineral, pK_a1 decreased with increasing SSD while the opposite tendency was observed for pK_a2. This newly developed framework demonstrates a method to reconcile community data-wide potentiometric titration data using Findable, Accessible, Interoperable, Reusable data principles to produce mineral protolysis constants that improve robustness of surface complexation models for applications in metal sorption and reactive transport modeling. The framework is readily expandable (as community data increase) and extensible (as the number of minerals increase). The framework provides a path forward for developing self-consistent, comprehensive, and updateable surface complexation databases for surface complexation and reactive transport modeling.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: Korea Nuclear International Cooperation Foundation (KONICOF); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1992192

Report Number(s):: LLNL-JRNL-846013; 1070014

Journal Information:: Journal of Colloid and Interface Science, Journal Name: Journal of Colloid and Interface Science Journal Issue: na Vol. 648; ISSN 0021-9797

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (88)

Review of the hydrolysis of iron(III) and the crystallization of amorphous iron(III) hydroxide hydrate Cornell, Rochelle M.; Giovanoli, Rudolf; Schneider, Walter Journal of Chemical Technology & Biotechnology, Vol. 46, Issue 2 https://doi.org/10.1002/jctb.280460204	journal	January 1989
Surface Complexation Model Parameters for Goethite (α-FeOOH) Lumsdon, David O.; Evans, Leslie J. Journal of Colloid and Interface Science, Vol. 164, Issue 1 https://doi.org/10.1006/jcis.1994.1150	journal	April 1994
Intrinsic Proton Affinity of Reactive Surface Groups of Metal (Hydr)oxides: The Bond Valence Principle Hiemstra, T.; Venema, P.; Riemsdijk, W. H. Van Journal of Colloid and Interface Science, Vol. 184, Issue 2 https://doi.org/10.1006/jcis.1996.0666	journal	December 1996
Cation Binding Predictions of Surface Complexation Models: Effects of pH, Ionic Strength, Cation Loading, Surface Complex, and Model Fit Robertson, A. P.; Leckie, J. O. Journal of Colloid and Interface Science, Vol. 188, Issue 2 https://doi.org/10.1006/jcis.1996.4752	journal	April 1997
Acid–Base Properties and Heavy and Alkaline Earth Metal Adsorption on the Oxide–Solution Interface: Non-Electrostatic Model Pivovarov, Sergey Journal of Colloid and Interface Science, Vol. 206, Issue 1 https://doi.org/10.1006/jcis.1998.5647	journal	October 1998
From Fe(III) Ions to Ferrihydrite and then to Hematite Schwertmann, Udo; Friedl, Josef; Stanjek, Helge Journal of Colloid and Interface Science, Vol. 209, Issue 1 https://doi.org/10.1006/jcis.1998.5899	journal	January 1999
Surface Complexation Modeling of Yb(III), Ni(II), and Cs(I) Sorption on Magnetite Marmier, Nicolas; Delisée, Annie; Fromage, Francine Journal of Colloid and Interface Science, Vol. 211, Issue 1 https://doi.org/10.1006/jcis.1998.5968	journal	March 1999
Comparing Electrostatic and Nonelectrostatic Surface Complexation Modeling of the Sorption of Lanthanum on Hematite Marmier, Nicolas; Fromage, Francine Journal of Colloid and Interface Science, Vol. 212, Issue 2 https://doi.org/10.1006/jcis.1998.6039	journal	April 1999
The Constant Capacitance Model and Variable Ionic Strength: An Evaluation of Possible Applications and Applicability Lützenkirchen, Johannes Journal of Colloid and Interface Science, Vol. 217, Issue 1 https://doi.org/10.1006/jcis.1999.6348	journal	September 1999
Electroacoustic and Potentiometric Studies of the Hematite/Water Interface Gunnarsson, Magnus; Rasmusson, Mikael; Wall, Staffan Journal of Colloid and Interface Science, Vol. 240, Issue 2 https://doi.org/10.1006/jcis.2001.7725	journal	August 2001
Ni and Zn Sorption to Amorphous versus Crystalline Iron Oxides: Macroscopic Studies Trivedi, Paras; Axe, Lisa Journal of Colloid and Interface Science, Vol. 244, Issue 2 https://doi.org/10.1006/jcis.2001.7970	journal	December 2001
Corrected Debye–Hückel Analysis of Surface Complexation Gunnarsson, Magnus; Abbas, Zareen; Ahlberg, Elisabet Journal of Colloid and Interface Science, Vol. 249, Issue 1 https://doi.org/10.1006/jcis.2002.8261	journal	May 2002
Ligand effect on the adsorption of heavy metals: The sulfate ? Cadmium ? Goethite case Hoins, Ulrich; Charlet, Laurent; Sticher, Hans Water, Air, & Soil Pollution, Vol. 68, Issue 1-2 https://doi.org/10.1007/BF00479406	journal	May 1993
Adsorption of uranyl onto ferric oxyhydroxides: Application of the surface complexation site-binding model Hsi, Ching-kuo Daniel; Langmuir, Donald Geochimica et Cosmochimica Acta, Vol. 49, Issue 9, p. 1931-1941 https://doi.org/10.1016/0016-7037(85)90088-2	journal	September 1985
Complexation of carbonate species at the goethite surface: Implications for adsorption of metal ions in natural waters van Geen, Alexander; Robertson, Alexander P.; Leckie, James O. Geochimica et Cosmochimica Acta, Vol. 58, Issue 9 https://doi.org/10.1016/0016-7037(94)90286-0	journal	May 1994
Theoretical prediction of single-site surface-protonation equilibrium constants for oxides and silicates in water Sverjensky, Dimitri A.; Sahai, Nita Geochimica et Cosmochimica Acta, Vol. 60, Issue 20 https://doi.org/10.1016/0016-7037(96)00207-4	journal	October 1996
Adsorption of Co2+ ions on spherical magnetite particles Tamura, Hiroki; Matijević, Egon; Meites, Louis Journal of Colloid and Interface Science, Vol. 92, Issue 2 https://doi.org/10.1016/0021-9797(83)90152-2	journal	April 1983
Interfacial properties of zirconium dioxide and magnetite in water Regazzoni, Alberto E.; Blesa, Miguel A.; Maroto, Alberto J. G. Journal of Colloid and Interface Science, Vol. 91, Issue 2 https://doi.org/10.1016/0021-9797(83)90370-3	journal	February 1983
The influence of temperature on the interface magnetite—aqueous electrolyte solution Blesa, Miguel A.; Figliolia, Nestor M.; Maroto, Alberto J. G. Journal of Colloid and Interface Science, Vol. 101, Issue 2 https://doi.org/10.1016/0021-9797(84)90052-3	journal	October 1984
Electrochemistry of a model for patchwise heterogeneous surfaces: The rutile-hematite system Gibb, Alexander W. M.; Koopal, Luuk K. Journal of Colloid and Interface Science, Vol. 134, Issue 1 https://doi.org/10.1016/0021-9797(90)90258-P	journal	January 1990
Surface complexation models: An evaluation of model parameter estimation using FITEQL and oxide mineral titration data Hayes, Kim F.; Redden, George; Ela, Wendell Journal of Colloid and Interface Science, Vol. 142, Issue 2 https://doi.org/10.1016/0021-9797(91)90075-J	journal	March 1991
Adsorption of lead(II) on the goethite surface: Voltammetric evaluation of surface complexation parameters Müller, Beat; Sigg, Laura Journal of Colloid and Interface Science, Vol. 148, Issue 2 https://doi.org/10.1016/0021-9797(92)90187-Q	journal	February 1992
Crystal morphology and the dissolution of goethite Cornell, R. M.; Posner, A. M.; Quirk, J. P. Journal of Inorganic and Nuclear Chemistry, Vol. 36, Issue 9 https://doi.org/10.1016/0022-1902(74)80705-0	journal	September 1974
Interfacial properties of two hydrous iron oxides in KNO3 solution Kanungo, S. B.; Mahapatra, D. M. Colloids and Surfaces, Vol. 42, Issue 1 https://doi.org/10.1016/0166-6622(89)80085-X	journal	January 1989
Lyotropic effect in surface charge, electrokinetics, and coagulation of a hematite dispersion C̆olić, M.; Fuerstenau, D. W.; Kallay, N. Colloids and Surfaces, Vol. 59 https://doi.org/10.1016/0166-6622(91)80246-K	journal	November 1991
Sorption of uranium(VI) onto phyllite Arnold, T.; Zorn, T.; Bernhard, G. Chemical Geology, Vol. 151, Issue 1-4 https://doi.org/10.1016/S0009-2541(98)00075-8	journal	October 1998
Carbonate adsorption on goethite under closed and open CO2 conditions Villalobos, Mario; Leckie, James O. Geochimica et Cosmochimica Acta, Vol. 64, Issue 22 https://doi.org/10.1016/S0016-7037(00)00465-8	journal	November 2000
Uranium (VI) sorption on colloidal magnetite under anoxic environment: experimental study and surface complexation modelling Missana, Tiziana; García-Gutiérrez, Miguel; Fernńdez, Victor Geochimica et Cosmochimica Acta, Vol. 67, Issue 14 https://doi.org/10.1016/S0016-7037(02)01350-9	journal	July 2003
Thermodynamics of iron oxides: Part III. Enthalpies of formation and stability of ferrihydrite (∼Fe(OH)₃), schwertmannite (∼FeO(OH)_3/4(SO₄)_1/8), and ε-Fe₂O₃ Majzlan, J.; Navrotsky, A.; Schwertmann, U. Geochimica et Cosmochimica Acta, Vol. 68, Issue 5, p. 1049-1059 https://doi.org/10.1016/S0016-7037(03)00371-5	journal	March 2004
Competitive sorption of copper and lead at the oxide-water interface: Implications for surface site density Christl, Iso; Kretzschmar, Ruben Geochimica et Cosmochimica Acta, Vol. 63, Issue 19-20 https://doi.org/10.1016/S0016-7037(99)00266-5	journal	October 1999
Modeling the adsorption of Cd(II) onto Muloorina illite and related clay minerals Lackovic, Kurt; Angove, Michael J.; Wells, John D. Journal of Colloid and Interface Science, Vol. 257, Issue 1 https://doi.org/10.1016/S0021-9797(02)00031-0	journal	January 2003
Experimental and modeling study of the uranium (VI) sorption on goethite Missana, Tiziana; Garcı́a-Gutiérrez, Miguel; Maffiotte, Cesar Journal of Colloid and Interface Science, Vol. 260, Issue 2 https://doi.org/10.1016/S0021-9797(02)00246-1	journal	April 2003
Surface ionization and complexation at the oxide/water interface Davis, James A.; James, Robert O.; Leckie, James O. Journal of Colloid and Interface Science, Vol. 63, Issue 3 https://doi.org/10.1016/S0021-9797(78)80009-5	journal	March 1978
RES3T-Rossendorf expert system for surface and sorption thermodynamics Brendler, Vinzenz; Vahle, Annett; Arnold, Thuro Journal of Contaminant Hydrology, Vol. 61, Issue 1-4 https://doi.org/10.1016/S0169-7722(02)00129-8	journal	March 2003
Sorption of cesium, barium and europium on magnetite Catalette, Hubert; Dumonceau, Jacques; Ollar, Philippe Journal of Contaminant Hydrology, Vol. 35, Issue 1-3 https://doi.org/10.1016/S0169-7722(98)00123-5	journal	December 1998
The sorption of thorium (IV) and uranium (VI) to hematite in the presence of natural organic matter Murphy, Richard J.; Lenhart, John J.; Honeyman, Bruce D. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 157, Issue 1-3 https://doi.org/10.1016/S0927-7757(99)00115-6	journal	October 1999
A spectroscopic study of trivalent cation (Cm3+ and Eu3+) sorption on monoclinic zirconia (ZrO2) Eibl, Manuel; Virtanen, Sinikka; Pischel, Felix Applied Surface Science, Vol. 487 https://doi.org/10.1016/j.apsusc.2019.05.012	journal	September 2019
Cadmium adsorption to mixtures of soil components: Testing the component additivity approach Alessi, Daniel S.; Fein, Jeremy B. Chemical Geology, Vol. 270, Issue 1-4 https://doi.org/10.1016/j.chemgeo.2009.11.016	journal	February 2010
Application of spectroscopic evidence to diffuse layer model (DLM) parameter estimation for cation adsorption onto ferrihydrite in single- and bi-solute systems Nomaan, Sheik Mohammad; Stokes, Shannon N.; Han, Joonkyoung Chemical Geology, Vol. 573 https://doi.org/10.1016/j.chemgeo.2021.120199	journal	July 2021
Formation of green rust via mineralogical transformation of ferric oxides (ferrihydrite, goethite and hematite) Usman, M.; Hanna, K.; Abdelmoula, M. Applied Clay Science, Vol. 64 https://doi.org/10.1016/j.clay.2011.10.008	journal	August 2012
The role of clays, clay minerals and clay-based materials for nitrate removal from water systems: A review Lazaratou, C. V.; Vayenas, D. V.; Papoulis, D. Applied Clay Science, Vol. 185 https://doi.org/10.1016/j.clay.2019.105377	journal	February 2020
Copper(II) sorption onto goethite, hematite and lepidocrocite: a surface complexation model based on ab initio molecular geometries and EXAFS spectroscopy Peacock, Caroline L.; Sherman, David M. Geochimica et Cosmochimica Acta, Vol. 68, Issue 12 https://doi.org/10.1016/j.gca.2003.11.030	journal	June 2004
Approaches to surface complexation modeling of Uranium(VI) adsorption on aquifer sediments Davis, James A.; Meece, David E.; Kohler, Matthias Geochimica et Cosmochimica Acta, Vol. 68, Issue 18 https://doi.org/10.1016/j.gca.2004.03.003	journal	September 2004
Prediction of surface charge on oxides in salt solutions: Revisions for 1:1 (M+L−) electrolytes Sverjensky, Dimitri A. Geochimica et Cosmochimica Acta, Vol. 69, Issue 2 https://doi.org/10.1016/j.gca.2004.05.040	journal	January 2005
Blind prediction of Cu(II) sorption onto goethite: Current capabilities of diffuse double layer model Richter, Anke; Brendler, Vinzenz; Nebelung, Cordula Geochimica et Cosmochimica Acta, Vol. 69, Issue 11 https://doi.org/10.1016/j.gca.2005.01.022	journal	June 2005
Surface complexation modeling of Co(II) adsorption on mixtures of hydrous ferric oxide, quartz and kaolinite Landry, Christopher J.; Koretsky, Carla M.; Lund, Tracy J. Geochimica et Cosmochimica Acta, Vol. 73, Issue 13 https://doi.org/10.1016/j.gca.2009.03.028	journal	July 2009
Prediction of iodate adsorption and surface speciation on oxides by surface complexation modeling Nagata, Takahiro; Fukushi, Keisuke Geochimica et Cosmochimica Acta, Vol. 74, Issue 21 https://doi.org/10.1016/j.gca.2010.08.002	journal	November 2010
Modelling Cu(II) adsorption to ferrihydrite and ferrihydrite–bacteria composites: Deviation from additive adsorption in the composite sorption system Moon, Ellen M.; Peacock, Caroline L. Geochimica et Cosmochimica Acta, Vol. 104 https://doi.org/10.1016/j.gca.2012.11.030	journal	March 2013
A self-consistent model describing the thermodynamics of Eu(III) adsorption onto hematite Estes, Shanna L.; Arai, Yuji; Becker, Udo Geochimica et Cosmochimica Acta, Vol. 122 https://doi.org/10.1016/j.gca.2013.08.023	journal	December 2013
Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential Tournassat, C.; Tinnacher, R. M.; Grangeon, S. Geochimica et Cosmochimica Acta, Vol. 220 https://doi.org/10.1016/j.gca.2017.09.049	journal	January 2018
Sorption kinetics of strontium in porous hydrous ferric oxide aggregates II. Comparison of experimental results and model predictions Hofmann, Annette; van Beinum, Wendy; Meeussen, Johannes C. L. Journal of Colloid and Interface Science, Vol. 283, Issue 1 https://doi.org/10.1016/j.jcis.2004.08.105	journal	March 2005
A new surface structural approach to ion adsorption: Tracing the location of electrolyte ions Rahnemaie, Rasoul; Hiemstra, Tjisse; van Riemsdijk, Willem H. Journal of Colloid and Interface Science, Vol. 293, Issue 2 https://doi.org/10.1016/j.jcis.2005.06.089	journal	January 2006
The dependence of hematite site-occupancy standard state triple-layer model parameters on inner-layer capacitance Hwang, Yu Sik; Lenhart, John J. Journal of Colloid and Interface Science, Vol. 319, Issue 1 https://doi.org/10.1016/j.jcis.2007.11.032	journal	March 2008
Diffuse sorption modeling Pivovarov, Sergey Journal of Colloid and Interface Science, Vol. 332, Issue 1 https://doi.org/10.1016/j.jcis.2008.11.074	journal	April 2009
Prediction of iodide adsorption on oxides by surface complexation modeling with spectroscopic confirmation Nagata, Takahiro; Fukushi, Keisuke; Takahashi, Yoshio Journal of Colloid and Interface Science, Vol. 332, Issue 2 https://doi.org/10.1016/j.jcis.2008.12.037	journal	April 2009
Analysis of phosphate adsorption onto ferrihydrite using the CD-MUSIC model Antelo, Juan; Fiol, Sarah; Pérez, Claudio Journal of Colloid and Interface Science, Vol. 347, Issue 1 https://doi.org/10.1016/j.jcis.2010.03.020	journal	July 2010
A comprehensive study of the sorption mechanism and thermodynamics of f-element sorption onto K-feldspar Neumann, J.; Brinkmann, H.; Britz, S. Journal of Colloid and Interface Science, Vol. 591 https://doi.org/10.1016/j.jcis.2020.11.041	journal	June 2021
Sorption of europium on a goethite surface: influence of background electrolyte Naveau, Aude; Monteil-Rivera, Fanny; Dumonceau, Jacques Journal of Contaminant Hydrology, Vol. 77, Issue 1-2 https://doi.org/10.1016/j.jconhyd.2004.10.002	journal	March 2005
Reactive oxygen species-related activities of nano-iron metal and nano-iron oxides Wu, Haohao; Yin, Jun-Jie; Wamer, Wayne G. Journal of Food and Drug Analysis, Vol. 22, Issue 1 https://doi.org/10.1016/j.jfda.2014.01.007	journal	March 2014
Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation Veselská, Veronika; Fajgar, Radek; Číhalová, Sylva Journal of Hazardous Materials, Vol. 318 https://doi.org/10.1016/j.jhazmat.2016.07.002	journal	November 2016
Corrosion of steel drums containing cemented ion-exchange resins as intermediate level nuclear waste Duffó, G. S.; Farina, S. B.; Schulz, F. M. Journal of Nuclear Materials, Vol. 438, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.03.027	journal	July 2013
Correlation between structural features and vis–NIR spectra of α-Fe2O3 hematite and AFe2O4 spinel oxides (A=Mg, Zn) Pailhé, N.; Wattiaux, A.; Gaudon, M. Journal of Solid State Chemistry, Vol. 181, Issue 5 https://doi.org/10.1016/j.jssc.2008.02.009	journal	May 2008
Comparison study on transformation of iron oxyhydroxides: Based on theoretical and experimental data Lu, Bin; Guo, Hui; Li, Ping Journal of Solid State Chemistry, Vol. 184, Issue 8 https://doi.org/10.1016/j.jssc.2011.06.008	journal	August 2011
Surface site density, silicic acid retention and transport properties of compacted magnetite powder Mayant, C.; Grambow, B.; Abdelouas, A. Physics and Chemistry of the Earth, Parts A/B/C, Vol. 33, Issue 14-16 https://doi.org/10.1016/j.pce.2008.05.011	journal	January 2008
Community Data Mining Approach for Surface Complexation Database Development Zavarin, Mavrik; Chang, Elliot; Wainwright, Haruko Environmental Science & Technology, Vol. 56, Issue 4 https://doi.org/10.1021/acs.est.1c07109	journal	February 2022
Density Functional Theory Study of Ferrihydrite and Related Fe-Oxyhydroxides Pinney, Nathan; Kubicki, James D.; Middlemiss, Derek S. Chemistry of Materials, Vol. 21, Issue 24 https://doi.org/10.1021/cm9023875	journal	December 2009
Hydrolysis of inorganic iron(III) salts Flynn, Charles M. Chemical Reviews, Vol. 84, Issue 1 https://doi.org/10.1021/cr00059a003	journal	February 1984
Modeling the Adsorption of Metal−EDTA Complexes onto Oxides Nowack, Bernd; Lützenkirchen, Johannes; Behra, Philippe Environmental Science & Technology, Vol. 30, Issue 7 https://doi.org/10.1021/es9508939	journal	June 1996
Acid/Base, Copper Binding, and Cu²⁺/H⁺ Exchange Properties of Goethite, an Experimental and Modeling Study Robertson, A. P.; Leckie, J. O. Environmental Science & Technology, Vol. 32, Issue 17 https://doi.org/10.1021/es9709942	journal	July 1998
Adsorption at solid/liquid interfaces. 6. The effect of methanol and ethanol on the ionic equilibria at the hematite/water interface Hesleitner, P.; Kallay, N.; Matijevic, Egon Langmuir, Vol. 7, Issue 1 https://doi.org/10.1021/la00049a032	journal	January 1991
Adsorption at solid/solution interfaces. 3. Surface charge and potential of colloidal hematite Hesleitner, Paul; Babic, Darko; Kallay, Nikola Langmuir, Vol. 3, Issue 5 https://doi.org/10.1021/la00077a041	journal	September 1987
The FAIR Guiding Principles for scientific data management and stewardship Wilkinson, Mark D.; Dumontier, Michel; Aalbersberg, IJsbrand Jan Scientific Data, Vol. 3, Issue 1 https://doi.org/10.1038/sdata.2016.18	journal	March 2016
Interfacial electrochemistry of haematite (α-Fe₂O₃) Breeuwsma, A.; Lyklema, J. Discuss. Faraday Soc., Vol. 52, Issue 0 https://doi.org/10.1039/DF9715200324	journal	January 1971
Thermodynamic modelling of nanomorphologies of hematite and goethite Guo, Haibo; Barnard, Amanda S. Journal of Materials Chemistry, Vol. 21, Issue 31 https://doi.org/10.1039/c1jm10381d	journal	January 2011
Describing the adsorption of phosphate, citrate and selenite on a variable-charge mineral surface Bowden, Jw; Nagarajah, S.; Barrow, Nj Soil Research, Vol. 18, Issue 1 https://doi.org/10.1071/SR9800049	journal	January 1980
Biomineralization of Poorly Crystalline Fe(III) Oxides by Dissimilatory Metal Reducing Bacteria (DMRB) Zachara, John M.; Kukkadapu, Ravi K.; Fredrickson, James K. Geomicrobiology Journal, Vol. 19, Issue 2 https://doi.org/10.1080/01490450252864271	journal	March 2002
Mercury 4.0 : from visualization to analysis, design and prediction Macrae, Clare F.; Sovago, Ioana; Cottrell, Simon J. Journal of Applied Crystallography, Vol. 53, Issue 1 https://doi.org/10.1107/S1600576719014092	journal	February 2020
Comparison of Electrostatic and Non-Electrostatic Models for U(VI) Sorption on Aquifer Sediments: B. Arora et al. Groundwater XX, no. X: XX-XX Arora, Bhavna; Davis, James A.; Spycher, Nicolas F. Groundwater, Vol. 56, Issue 1 https://doi.org/10.1111/gwat.12551	journal	July 2017
The effects of pH and chloride concentration on mercury sorption. I. By goethite Barrow, N. J.; Cox, V. C. Journal of Soil Science, Vol. 43, Issue 2 https://doi.org/10.1111/j.1365-2389.1992.tb00137.x	journal	June 1992
The Structure of Ferrihydrite, a Nanocrystalline Material Michel, F. M.; Ehm, L.; Antao, S. M. Science, Vol. 316, Issue 5832 https://doi.org/10.1126/science.1142525	journal	June 2007
Cation Distributions in Nickel Ferrites Tsukimura, Katsuhiro; Sasaki, Satoshi; Kimizuka, Noboru Japanese Journal of Applied Physics, Vol. 36, Issue Part 1, No. 6A https://doi.org/10.1143/JJAP.36.3609	journal	June 1997
Actinides sorption onto hematite: experimental data, surface complexation modeling and linear free energy relationship Romanchuk, Anna Y.; Kalmykov, Stepan N. Radiochimica Acta, Vol. 102, Issue 4 https://doi.org/10.1515/ract-2014-2108	journal	January 2014
Sodium Adsorption onto Goethite as a Function of pH and Ionic Strength Rundberg, R. S.; Albinsson, Y.; Vannerberg, K. ract, Vol. 66-67, Issue Supplement https://doi.org/10.1524/ract.1994.6667.special-issue.333	journal	December 1994
Neptunium(V) Sorption on Hematite (α-Fe ₂ O ₃ ) in Aqueous Suspension: The Effect of CO ₂ Kohler, M.; Honeyman, B. D.; Leckie, J. O. ract, Vol. 85, Issue 1-2 https://doi.org/10.1524/ract.1999.85.12.33	journal	May 1999
Modeling of Neptunium(V) Sorption Behavior onto Iron-Containing Minerals Fujita, T.; Tsukamoto, M.; Ohe, T. MRS Proceedings, Vol. 353 https://doi.org/10.1557/PROC-353-965	journal	January 1994
Adsorption-Desorption Processes in Subsurface Reactive Transport Modeling Goldberg, Sabine; Criscenti, Louise J.; Turner, David R. Vadose Zone Journal, Vol. 6, Issue 3 https://doi.org/10.2136/vzj2006.0085	journal	August 2007
In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Gualtieri, Alessandro F.; Venturelli, Paolo American Mineralogist, Vol. 84, Issue 5-6 https://doi.org/10.2138/am-1999-5-624	journal	June 1999
The surface chemistry of goethite (alpha FeOOH) in major ion seawater Balistrieri, L. S.; Murray, J. W. American Journal of Science, Vol. 281, Issue 6 https://doi.org/10.2475/ajs.281.6.788	journal	June 1981

Similar Records

Community Based Data of Potentiometric Titration of Iron Oxides: Ferrihydrite (HFO), Goethite, Hematite, Magnetite

Dataset · Sat Dec 31 23:00:00 EST 2022 · OSTI ID:1986089

LLNL Automized Surface Titration Model

Software · Thu Sep 28 20:00:00 EDT 2023 · OSTI ID:code-115054

Solution thermodynamics and structures of biscatecholamide complexes of Fe(III) and U(VI)

Conference · Mon Dec 30 23:00:00 EST 1996 · OSTI ID:539035

Related Subjects

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES
Iron Oxide
Potentiometric Titration
Protolysis
Radionuclide
Sorption
Surface Complexation

Application of community data to surface complexation modeling framework development: Iron oxide protolysis

Citation Formats

References (88)

Similar Records

Related Subjects