A radiochemical lab-on-a-chip paired with computer vision to unlock the crystallization kinetics of (Ba,Ra)SO
Computer vision
Crystal growth
Microfluidics
Ra-bearing barite
Solid solutions
Journal
Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288
Informations de publication
Date de publication:
25 Apr 2024
25 Apr 2024
Historique:
received:
26
01
2024
accepted:
16
04
2024
medline:
26
4
2024
pubmed:
26
4
2024
entrez:
25
4
2024
Statut:
epublish
Résumé
(Ra,Ba)SO
Identifiants
pubmed: 38664523
doi: 10.1038/s41598-024-59888-6
pii: 10.1038/s41598-024-59888-6
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
9502Subventions
Organisme : European Research Council
ID : 101040341
Pays : International
Organisme : European Research Council
ID : 101040341
Pays : International
Informations de copyright
© 2024. The Author(s).
Références
IAEA, R. P. Management of NORM residues in the phosphate industry, Safety reports series No. 78. International Atomic Energy Agency (IAEA), Vienna (2013).
Poonoosamy, J. et al. Barite precipitation following celestite dissolution in a porous medium: A SEM/BSE and μ-XRD/XRF study. Geochim. Cosmochim. Acta. 182, 131–144. https://doi.org/10.1016/j.gca.2016.03.011 (2016).
doi: 10.1016/j.gca.2016.03.011
Poonoosamy, J. et al. Combination of MRI and SEM to assess changes in the chemical properties and permeability of porous media due to barite precipitation. Minerals 10, 226 (2020).
doi: 10.3390/min10030226
Poonoosamy, J. et al. Effects of solution supersaturation on barite precipitation in porous media and consequences on permeability: Experiments and modelling. Geochim. Cosmochim. Acta. 270, 43–60. https://doi.org/10.1016/j.gca.2019.11.018 (2020).
doi: 10.1016/j.gca.2019.11.018
Hunter, H. A., Ling, F. T. & Peters, C. A. Metals coprecipitation with barite: nano-XRF observation of enhanced strontium incorporation. Environ Eng Sci 37, 235–245. https://doi.org/10.1089/ees.2019.0447 (2020).
doi: 10.1089/ees.2019.0447
pubmed: 32322155
pmcid: 7175618
Ling, F. T. et al. Nanospectroscopy captures nanoscale compositional zonation in barite solid solutions. Sci. Rep. 8, 13041. https://doi.org/10.1038/s41598-018-31335-3 (2018).
doi: 10.1038/s41598-018-31335-3
pubmed: 30158629
pmcid: 6115454
Weber, J., Bracco, J. N., Yuan, K., Starchenko, V. & Stack, A. G. Studies of mineral nucleation and growth across multiple scales: Review of the current state of research using the example of barite (BaSO
doi: 10.1021/acsearthspacechem.1c00055
Bracco, J. N. et al. Hydration structure of the barite (001)–water interface: Comparison of X-ray reflectivity with molecular dynamics simulations. J. Phys. Chem. C 121, 12236–12248. https://doi.org/10.1021/acs.jpcc.7b02943 (2017).
doi: 10.1021/acs.jpcc.7b02943
Lauer, N. E., Warner, N. R. & Vengosh, A. Sources of radium accumulation in stream sediments near disposal sites in Pennsylvania: Implications fordisposal of conventional oil and gas wastewater. Environ. Sci. Technol. 52, 955–962. https://doi.org/10.1021/acs.est.7b04952 (2018).
doi: 10.1021/acs.est.7b04952
pubmed: 29300469
Thakur, P., Ward, A. L. & González-Delgado, A. M. Optimal methods for preparation, separation, and determination of radium isotopes in environmental and biological samples. J. Environ. Radioact. 228, 106522. https://doi.org/10.1016/j.jenvrad.2020.106522 (2021).
doi: 10.1016/j.jenvrad.2020.106522
pubmed: 33360557
Kölbel, L. et al. Water–rock interactions in the Bruchsal geothermal system by U-Th series radionuclides. Geotherm. Energy 8, 24. https://doi.org/10.1186/s40517-020-00179-4 (2020).
doi: 10.1186/s40517-020-00179-4
Besançon, C. et al. The role of barite in the post-mining stabilization of radium-226: A modeling contribution for sequential extractions. Minerals 10, 497 (2020).
doi: 10.3390/min10060497
Nirdosh, I., Muthuswami, S. V. & Baird, M. H. I. Radium in uranium mill tailings—Some observations on retention and removal. Hydrometallurgy 12, 151–176. https://doi.org/10.1016/0304-386X(84)90032-X (1984).
doi: 10.1016/0304-386X(84)90032-X
Fesenko, S., Carvalho, F., Martin, P., Moore, W. & Yankovich, T. Radium in the environment. The Environmental behaviour of radium: Revised edition. Technical Reports Series, 33–105 (2014).
Lestini, L., Beaucaire, C., Vercouter, T., Ballini, M. & Descostes, M. Role of trace elements in the 226-Radium incorporation in sulfate minerals (gypsum and celestite). ACS Earth Space Chem. https://doi.org/10.1021/acsearthspacechem.8b00150 (2019).
doi: 10.1021/acsearthspacechem.8b00150
Mangeret, A. et al. Early diagenesis of radium 226 and radium 228 in lacustrine sediments influenced by former mining sites. J. Environ. Radioact. 222, 106324. https://doi.org/10.1016/j.jenvrad.2020.106324 (2020).
doi: 10.1016/j.jenvrad.2020.106324
pubmed: 32892898
Grandia, F., Merino, J. & Bruno, J. Assessment of the radium-barium co-precipitation and its potential influence on the solubility of Ra in the near-field. (SKB, 2008).
Curti, E. et al. Modelling Ra-bearing baryte nucleation/precipitation kinetics at the pore scale: Application to radioactive waste disposal. Eur. J. Mineral. 31, 247–262. https://doi.org/10.1127/ejm/2019/0031-2818 (2019).
doi: 10.1127/ejm/2019/0031-2818
Rudin, S. et al. Simulation of crystal growth by an innovative hybrid density functional theory continuum solvation approach: Kink Site Formation on Barite (001). Cryst. Growth Des. 24, 159–170. https://doi.org/10.1021/acs.cgd.3c00809 (2024).
doi: 10.1021/acs.cgd.3c00809
Poonoosamy, J. et al. A lab-on-a-chip approach integrating in-situ characterization and reactive transport modelling diagnostics to unravel (Ba, Sr)SO
doi: 10.1038/s41598-021-02840-9
pubmed: 34880298
pmcid: 8654837
Brandt, F., Curti, E., Klinkenberg, M., Rozov, K. & Bosbach, D. Replacement of barite by a (Ba,Ra)SO
doi: 10.1016/j.gca.2015.01.016
Brandt, F., Klinkenberg, M., Poonoosamy, J., Weber, J. & Bosbach, D. The effect of ionic strength and Sraq upon the uptake of Ra during the recrystallization of barite. Minerals https://doi.org/10.3390/min8110502 (2018).
doi: 10.3390/min8110502
Brandt, F., Klinkenberg, M., Poonoosamy, J. & Bosbach, D. Recrystallization and uptake of
doi: 10.3390/min10090812
Weber, J. et al. Retention of
doi: 10.1016/j.chemgeo.2017.07.021
Klinkenberg, M. et al. The solid solution–aqueous solution system (Sr, Ba, Ra)SO
doi: 10.1016/j.chemgeo.2018.08.009
Klinkenberg, M., Brandt, F., Breuer, U. & Bosbach, D. Uptake of Ra during the recrystallization of barite: A microscopic and time of flight-Secondary ion mass spectrometry study. Environ. Sci. Technol. 48, 6620–6627. https://doi.org/10.1021/es405502e (2014).
doi: 10.1021/es405502e
pubmed: 24845972
Langmuir, D. & Riese, A. C. The thermodynamic properties of radium. Geochim. Cosmochim. Acta. 49, 1593–1601. https://doi.org/10.1016/0016-7037(85)90264-9 (1985).
doi: 10.1016/0016-7037(85)90264-9
Vinograd, V. L. et al. Solid–aqueous equilibrium in the BaSO
doi: 10.1016/j.gca.2013.08.028
Vinograd, V. L. et al. Thermodynamics of the solid solution - Aqueous solution system (Ba, Sr, Ra)SO
doi: 10.1016/j.apgeochem.2017.11.009
Vinograd, V. L. et al. Thermodynamics of the solid solution - Aqueous solution system (Ba, Sr, Ra)SO
doi: 10.1016/j.apgeochem.2017.10.019
Curti, E. et al. Radium uptake during barite recrystallization at 23±2°C as a function of solution composition: An experimental
doi: 10.1016/j.gca.2010.03.018
Torapava, N., Ramebäck, H., Curti, E., Lagerkvist, P. & Ekberg, C. Recrystallization of
doi: 10.1007/s10967-014-3170-6
Heberling, F., Metz, V., Böttle, M., Curti, E. & Geckeis, H. Barite recrystallization in the presence of
doi: 10.1016/j.gca.2018.04.007
Rosenberg, Y. O., Sadeh, Y., Metz, V., Pina, C. M. & Ganor, J. Nucleation and growth kinetics of RaxBa1−xSO
doi: 10.1016/j.gca.2013.09.041
Porru, M. & Özkan, L. Monitoring of batch industrial crystallization with growth, nucleation, and agglomeration. Part 1: Modeling with method of characteristics. Ind. Eng. Chem. Res. 56, 5980–5992. https://doi.org/10.1021/acs.iecr.7b00240 (2017).
doi: 10.1021/acs.iecr.7b00240
pubmed: 28603342
pmcid: 5460667
Matyskin, A. V. et al. Disordered crystal structure and anomalously high solubility of radium carbonate. Inorg. Chem. 62, 12038–12049. https://doi.org/10.1021/acs.inorgchem.3c01513 (2023).
doi: 10.1021/acs.inorgchem.3c01513
pubmed: 37477287
pmcid: 10394661
Curie, M. Radium and the new concepts in chemistry. Nobel Lecture (1911).
Doerner, H. A. & Hoskins, W. M. Co-precipitation of radium and badium sulfates 1. J. Am. Chem. Soc. 47, 662–675. https://doi.org/10.1021/ja01680a010 (1925).
doi: 10.1021/ja01680a010
Hahn, O. Über die neuen Fällungs- und Adsorptionssätze und einige ihrer Ergebnisse. Die Naturwissenschaften 14, 1196–1199. https://doi.org/10.1007/BF01451768 (1926).
doi: 10.1007/BF01451768
Goldschmidt, B. Etude du fractionement part cristallisation mixte a laide des radioelements. Ann. Chim. (Paris) 13, 88–173 (1940).
Jones, M. J. et al. Reactions of radium and barium with the surfaces of carbonate minerals. Appl. Geochemistry 26, 1231–1238. https://doi.org/10.1016/j.apgeochem.2011.04.012 (2011).
doi: 10.1016/j.apgeochem.2011.04.012
Soulaine, C., Maes, J. & Roman, S. Computational Microfluidics for Geosciences. Front. water 3, 643714. https://doi.org/10.3389/frwa.2021.643714 (2021).
doi: 10.3389/frwa.2021.643714
Prasianakis, N. I. et al. Neural network based process coupling and parameter upscaling in reactive transport simulations. Geochim. Cosmochim. Acta. 291, 126–143. https://doi.org/10.1016/j.gca.2020.07.019 (2020).
doi: 10.1016/j.gca.2020.07.019
Deng, H., Fitts, J. P., Tappero, R. V., Kim, J. J. & Peters, C. A. Acid erosion of carbonate fractures and accessibility of arsenic-bearing minerals: In operando synchrotron-based microfluidic experiment. Environ. Sci. Technol. 54, 12502–12510. https://doi.org/10.1021/acs.est.0c03736 (2020).
doi: 10.1021/acs.est.0c03736
pubmed: 32845141
Poonoosamy, J. et al. Microfluidic flow-through reactor and 3D Raman imaging for in situ assessment of mineral reactivity in porous and fractured porous media. Lab Chip. 20, 2562–2571. https://doi.org/10.1039/D0LC00360C (2020).
doi: 10.1039/D0LC00360C
pubmed: 32573607
Poonoosamy, J. et al. A lab on a chip experiment for upscaling diffusivity of evolving porous media. Energies 15, 2160. https://doi.org/10.3390/en15062160 (2022).
doi: 10.3390/en15062160
Poonoosamy, J. et al. The use of microfluidic platforms with Raman spectroscopy for investigating the co-precipitation of metals and radionuclides in carbonates. Minerals 13, 636. https://doi.org/10.3390/min13050636 (2023).
doi: 10.3390/min13050636
Whittaker, M. L. et al. Structural basis for metastability in amorphous calcium barium carbonate (ACBC). Adv. Funct. Mater 28, 1704202. https://doi.org/10.1002/adfm.201704202 (2018).
doi: 10.1002/adfm.201704202
Cavanaugh, J., Whittaker, M. L. & Joester, D. Crystallization kinetics of amorphous calcium carbonate in confinement. Chem. Sci. 10, 5039–5043. https://doi.org/10.1039/C8SC05634J (2019).
doi: 10.1039/C8SC05634J
pubmed: 31183054
pmcid: 6530533
Whittaker, M. L., Sun, W., Duggins, D. O., Ceder, G. & Joester, D. Dynamic barriers to crystallization of calcium barium carbonates. Cryst. Growth Des. 21, 4556–4563. https://doi.org/10.1021/acs.cgd.1c00433 (2021).
doi: 10.1021/acs.cgd.1c00433
Yashina, A., Meldrum, F. & Demello, A. Calcium carbonate polymorph control using droplet-based microfluidics. Biomicrofluidics 6, 22001–2200110. https://doi.org/10.1063/1.3683162 (2012).
doi: 10.1063/1.3683162
pubmed: 22655005
Zhang, Z. et al. Investigating the nucleation kinetics of calcium carbonate using a zero-water-loss microfluidic chip. Cryst. Growth Des. 20, 2787–2795. https://doi.org/10.1021/acs.cgd.0c00191 (2020).
doi: 10.1021/acs.cgd.0c00191
Poonoosamy, J. et al. A microfluidic experiment and pore scale modelling diagnostics for assessing mineral precipitation and dissolution in confined spaces. Chem. Geol. 528, 119264. https://doi.org/10.1016/j.chemgeo.2019.07.039 (2019).
doi: 10.1016/j.chemgeo.2019.07.039
Yoon, H., Chojnicki, K. N. & Martinez, M. J. Pore-scale analysis of calcium carbonate precipitation and dissolution kinetics in a microfluidic device. Environ. Sci. Technol. 53, 14233–14242. https://doi.org/10.1021/acs.est.9b01634 (2019).
doi: 10.1021/acs.est.9b01634
pubmed: 31718177
Rembert, F., Stolz, A., Soulaine, C. & Roman, S. A microfluidic chip for geoelectrical monitoring of critical zone processes. Lab Chip. 23, 3433–3442. https://doi.org/10.1039/D3LC00377A (2023).
doi: 10.1039/D3LC00377A
pubmed: 37417241
pmcid: 10368154
Xu, J. & Balhoff, M. T. Emergence of power-law particle size distribution in microfluidic calcium carbonate precipitation: An extended yule process with a ripening effect. Phys. Rev. Lett. 131, 034001. https://doi.org/10.1103/PhysRevLett.131.034001 (2023).
doi: 10.1103/PhysRevLett.131.034001
pubmed: 37540865
Lönartz, M. I., Yang, Y., Deissmann, G., Bosbach, D. & Poonoosamy, J. Capturing the dynamic processes of porosity clogging. Wat. Res. Res. 59, e2023WR034722. https://doi.org/10.1029/2023WR034722 (2023).
Pascali, G., Watts, P. & Salvadori, P. A. Microfluidics in radiopharmaceutical chemistry. Nuclear Med. Biol. 40, 776–787. https://doi.org/10.1016/j.nucmedbio.2013.04.004 (2013).
doi: 10.1016/j.nucmedbio.2013.04.004
Lisova, K. et al. Economical droplet-based microfluidic production of [18F]FET and [18F]Florbetaben suitable for human use. Sci. Rep. 11, 20636. https://doi.org/10.1038/s41598-021-99111-4 (2021).
doi: 10.1038/s41598-021-99111-4
pubmed: 34667246
pmcid: 8526601
Elkawad, H. et al. Recent advances in microfluidic devices for the radiosynthesis of PET-imaging probes. Chem Asian J 17, e202200579. https://doi.org/10.1002/asia.202200579 (2022).
doi: 10.1002/asia.202200579
pubmed: 35909081
Vital, M., Daval, D., Morvan, G., Martinez, D. E. & Heap, M. J. Barite growth rates as a function of crystallographic orientation, temperature, and solution saturation state. Cryst. Growth Des. 20, 3663–3672. https://doi.org/10.1021/acs.cgd.9b01506 (2020).
doi: 10.1021/acs.cgd.9b01506
Bosbach, D. in Water-rock interactions, ore deposits, and environmental geochemistry: A tribute to David A. Crerar Vol. 7 (ed Roland; Wood Hellmann, Scott A.) 97–110 (Geochemical Society special publication, 2002).
Godinho, J. R. A. & Stack, A. G. Growth kinetics and morphology of barite crystals derived from face-specific growth rates. Cryst. Growth Des. 15, 2064–2071. https://doi.org/10.1021/cg501507p (2015).
doi: 10.1021/cg501507p
COMSOL Multiphysics® v. 6 (COMSOL AB, Stockholm, Sweden).
Kulik, D. A. et al. GEM-Selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes. Comput. Geosci. 17, 1–24. https://doi.org/10.1007/s10596-012-9310-6 (2013).
doi: 10.1007/s10596-012-9310-6
Whitesides, G. M. The origins and the future of microfluidics. Nature 442, 368–373. https://doi.org/10.1038/nature05058 (2006).
doi: 10.1038/nature05058
pubmed: 16871203
Prieto, M., Putnis, A. & Fernandez-Diaz, L. Crystallization of solid solutions from aqueous solutions in a porous medium: Zoning in (Ba, Sr)SO4. Geol Mag 130, 289–299. https://doi.org/10.1017/S0016756800019981 (1993).
doi: 10.1017/S0016756800019981
Onshape, onshape.com
Lee, J.-S., Wang, H.-R., Iizuka, Y. & Yu, S.-C. Crystal structure and Raman spectral studies of BaSO
doi: 10.1524/zkri.220.1.1.58891
Haggerty-Dawson, M. trimesh, https://trimesh.org/ (2024).
Hedström, H., Ramebäck, H. & Ekberg, C. A study of the Arrhenius behavior of the co-precipitation of radium, barium and strontium sulfate. J. Radioanal. Nucl. Chem. 298, 847–852. https://doi.org/10.1007/s10967-013-2431-0 (2013).
doi: 10.1007/s10967-013-2431-0
Poonoosamy, J. et al. Microfluidic investigation of pore-size dependency of barite nucleation. Commun. Chem 6, 250. https://doi.org/10.1038/s42004-023-01049-3 (2023).
doi: 10.1038/s42004-023-01049-3
pubmed: 37974009
pmcid: 10654916
Everall, N. J. (New Orleans, Louisiana, 2008).
Giannozzi, P. et al. QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials. J. Condens. Matter Phys. 21, 395502. https://doi.org/10.1088/0953-8984/21/39/395502 (2009).
doi: 10.1088/0953-8984/21/39/395502
Perdew, J. P. et al. Restoring the density-gradient expansion for exchange in solids and surfaces. Phys. Rev. Lett. 100, 136406. https://doi.org/10.1103/PhysRevLett.100.136406 (2008).
doi: 10.1103/PhysRevLett.100.136406
pubmed: 18517979
Monkhorst, H. J. & Pack, J. D. Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188–5192. https://doi.org/10.1103/PhysRevB.13.5188 (1976).
doi: 10.1103/PhysRevB.13.5188
Contributors. https://opencv.org/ (2024).
McKinney, W. Data structures for statistical computing in Python. (2010).
Hunter, J. D. Matplotlib: A 2D graphics environment. Comput Sci Eng 9, 90–95. https://doi.org/10.1109/MCSE.2007.55 (2007).
doi: 10.1109/MCSE.2007.55
Kornprobst, P., Tumblin, J. & Durand, F. Bilateral filtering: Theory and applications. Found. Trends Comput. Graph. Vis. 4, 1–74. https://doi.org/10.1561/0600000020 (2009).
doi: 10.1561/0600000020
Tomasi, C. & Manduchi, R. in Sixth International Conference on Computer Vision (IEEE Cat. No.98CH36271). 839–846.
Roy, P. et al. in 2014 International Conference on Control, Instrumentation, Communication and Computational Technologies (ICCICCT). 1182–1186.
Sezgin, M. & Sankur, B. Survey over image thresholding techniques and quantitative performance evaluation. J Electron Imaging 13, 146–168. https://doi.org/10.1117/1.1631315 (2004).
doi: 10.1117/1.1631315
Sakshi & Kukreja, V. in 2022 International Conference on Decision Aid Sciences and Applications (DASA). 305–310.
Goldschmidt, V. Atlas der Krystallformen. (C. Winters, 1920).