Catherine Lerougea, Mathieu Debure, Ana María  Fernández, Philippe Négrel, Benoit Madé, Nicolas Maubec, Christine Fléhoc, Catherine Guerrot, Michaela Blessing, Benoit Henry, Jean Charles Robinet. Hydrogeochemical processes of critical zone developed in Tégulines Clay, Paris Basin: Hydrogeochemical and multi-isotopic approach (δ¹³C, δD, δ¹⁸O, ⁸⁷Sr/⁸⁶Sr and ¹⁴C). Journal of Hydrology 129077.Missana, M. García-Gutiérrez, U. Alonso, O., A.M. Fernández. Effects of the presence of isosaccharinate on nickel adsorption by calcium silicate hydrate (CSH) gels: Experimental analysis and surface complexation modeling. Journal of Hydrology, 617 129077 (2023).

https://www.sciencedirect.com/science/article/pii/S0022169423000197?via%3Dihub

Tiziana Missana, Ursula Alonso, Natalia Mayordomo, Miguel García-Gutiérrez. Analysis of cadmium retention mechanisms by a smectite clay in the presence of carbonates. Toxics 11 (2), 130 (2023).

https://www.mdpi.com/2305-6304/11/2/130

T. Missana, M. García-Gutiérrez, U. Alonso, O., A.M. Fernández. Effects of the presence of isosaccharinate on nickel adsorption by calcium silicate hydrate (CSH) gels: Experimental analysis and surface complexation modeling. Journal of Environmental Chemical Engineering, 10850 (2022).                   

https://www.sciencedirect.com/science/article/pii/S2213343722013732

T. Missana, M. García-Gutiérrez, U. Alonso, O. Almendros Ginestá. Nickel retention by calcium silicate hydrates phases: Evaluation of the role of the Ca/Si ratio on adsorption and precipitation processes. Applied Geochemistry, 105197 (2022).     

https://doi.org/10.1016/j.apgeochem.2022.105197

A.M. Fernández, J.F. Marco, P. Nieto, Fco.J. León, L.M. Robredo, M.A. Clavero, A.I. Cardona, S. Fernández, D Svensson, P. Sellin. Characterization of Bentonites from the In situ ABM5 Heater Experiment at Äspö Hard Rock Laboratory. Minerals 12(4), 471 (2022).             

https://doi.org/10.3390/min12040471

A.M. Fernández, S. Kaufhold, M. Olin, L.G. Zheng, P. Wersin, J. Wilson. Clay Mineral Transformations after Bentonite/Clayrocks and Heater/Water Interactions from Lab and Large-Scale Tests. Special Issue. Minerals, MDPI, Basel (Switzerland), 388 pp. (2022). ISBN 978-3-0365-4430-4 (Hbk); ISBN 978-3-0365-4429-8 (PDF).

https://www.mdpi.com/books/pdfview/book/5705

F. Colmenero, A.M. Fernández, T. Missana, O. Almendros. Density functional theory study o the crystal structure and infrared spectrum of Ettringite. Macla 26, pp. 42-43.

http://www.semineral.es/websem/PdfServlet?mod=archivos&subMod=publicaciones&archivo=MACLA%2026%20V5-42-43.pdf

 

T. Missana, U. Alonso, M. García-Gutiérrez. Evaluation of component additive modelling approach for europium adsorption on 2:1 clays: Experimental, thermodynamic databases, and models. Chemosphere, 272 (2021).
https://doi.org/10.1016/j.chemosphere.2021.129877

H. Rojo, X. Gaona., T. Rabung., R. Polly, M. García-Gutiérrez, T. Missana, M. Altmaier Complexation of Nd(III)/Cm(III) with gluconate in alkaline NaCl and CaCl2 solutions: Solubility, TRLFS and DFT studies. Applied Geochemistry, 126, (2021).
https://doi.org/10.1016/j.apgeochem.2020.104864

Lerouge, C. Debure, M., Henry, B., Fernández, A.M., Blessing, M., Proust, E., Madé, B., Robinet, J.C.,. Dissolved gas (CO2, O2, N2, alkanes) contents in pore waters: a record of weathering processes in a clay aquitard. Applied Geochemistry  116, (2020).
https://doi.org/10.1016/j.apgeochem.2020.104573

Debure, M.; Grangeon, S.; Robinet, J.C.; Madè, B.; Fernández, A.M.; Lerouge, C. Influence of soil redox state on mercury sorption and reduction capacity. Science of the Total Environment. 707 - 136069, pp. 1 – 9 (2020).
https://doi.org/10.1016/j.scitotenv.2019.136069

Zheng, L.; Xu, H.; Ruqvist, J.; Reagan, M.; Birkholzer, J.; Villar, M.V.; Fernández, A.M., The hydration of bentonite buffer material revealed by modeling analysis of a long-term in situ test. Applied Clay Science. 185, pp. 105360 (2020).
https://doi.org/10.1016/j.clay.2019.105360

T. Missana, M. García-Gutiérrez, M. Mingarro, U.Alonso. Selenite Retention and Cation Co-adsorption Effects under Alkaline Conditions Generated by Cementitious Materials: The Case of C–S–H Phases. ACS-OMEGA 4,8,13418-13425 (2019).
OPEN ACCESS: https://pubs.acs.org/doi/10.1021/acsomega.9b01637

Olmeda J., T. Missana, Grandia F., M. Grivé, M. García-Gutiérrez, M. Mingarro, U.Alonso, E. Colás, P. Henocq, J.C. Robinet. Radium retention by blended cement pastes and pure phases (C-S-H and C-A-S-H gels): experimental assessment and modelling exercise. Applied Geochemistry, 105, 45-54 (2019).
https://doi.org/10.1016/j.apgeochem.2019.04.004

Asta, M.P.; Wang, Y.; Frutschi, M.; Viacava, K.; Loreggian, L.; Le Pape, P.; Le Vo, P.; Fernández, A.M.; Morin, G.; Bernier-Latmani, R.  Microbially mediated release of As from Mekong Delta peat sediments. Environmental Science &Technology. 53, pp. 10208 – 10217 (2019).
https://doi.org/10.1021/acs.est.9b02887

Colmenero, F., Fernández, A.M., Cobos, J., Timón, V. Periodic DFT Study of the Thermodynamic Properties and Stability of Schoepite and Metaschoepite Mineral Phases. ACS Earth and Space Chemistry. 3 - 0, pp. 17 – 2 (2019)8.
https://doi.org/10.1021/acsearthspacechem.8b00109

Colmenenero, F.; Plásil, J.; Cobos, J.; Sejkora, J.; Timón, V.; Cejka, J.; Fernández, A.M.; Petricek, V., Structural, mechanical, spectroscopic and thermodynamic characterization of the copper-uranyl tetrahydroxide mineral vandenbrandeite. RSC Advance. 9, pp. 40708 – 40726 (2019).
https://doi.org/10.1039/C9RA09047A

N. Mayordomo, U. Alonso, T. Missana. Effects of gamma-alumina nanoparticles on Sr sorption in smectite: additive model approach. Applied Geochemistry, 100, 121-130 (2019).
https://doi.org/10.1016/j.apgeochem.2018.11.012

M. García-Gutiérrez, T. Missana, M. Mingarro, J. Morejón. Cs diffusion in mortars from different cements used in radioactive waste repositories. Applied Geochemistry, 98, 10-16 (2018).
https://doi.org/10.1016/j.apgeochem.2018.09.001

T. Missana, M. García-Gutierrez, M. Mingarro, U. Alonso. Comparison between cesium and sodium retention on calcium silicate hydrate phases.  Applied Geochemistry, 98, 36-44 (2018).
https://doi.org/10.1016/j.apgeochem.2018.09.007

U. Alonso, T. Missana, A.M. Fernández, M. García-Gutiérrez. Erosion behaviour of raw bentonites under compacted and confined conditions: relevance of smectite content and clay/water interactions. Applied Geochemistry, 94, 11-20 (2018).
https://doi.org/10.1016/j.apgeochem.2018.04.012

T. Missana, U. Alonso, A.M. Fernández, M. García-Gutiérrez. Analysis of the stability behaviour of colloids obtained from different smectite clays. Applied Geochemistry 90, 180-187 (2018).
https://doi.org/10.1016/j.apgeochem.2018.03.010

T. Missana, U. Alonso, A.M. Fernández, M. García-Gutiérrez. Colloidal properties of different smectite clays: significance for the bentonite barrier erosion and radionuclide transport in radioactive waste repositories. Applied Geochemistry 97, 157-166 (2018).
https://doi.org/10.1016/j.apgeochem.2018.08.008

N. Mayordomo, H. Foersterndorf, J. Lutzenkirchen, K.Heim, S. Weiss, U.Alonso, T.Missana, K. Schmeide, N. Jordan. Selenium(IV) sorption onto -alumina: a consistent description of the surface speciation by spectroscopy and thermodynamic modelling. Environmental Science and Technology 52(2), 581-588 (2018).
https://doi.org/10.1021/acs.est.7b04546

Lerouge, C.; Robinet, J.C.; Debure, M.; Tournassat, C.; Bouchet, A.; Fernandez, A.M.; Flehoc, C.; Guerrot, C.; Kars, M.; Lagroix, F.; Landrein, F.; Madé, B.; Negrel, P.; Wille, G.; Claret, F.A deep alteration and oxidation profile in a shallow clay aquitard. Geofluids. 1606753.(2018).
https://www.hindawi.com/journals/geofluids/2018/1606753/

Colmenero, F.; Fernández, A.M.; Timón, V.; Cobos, J. Becquerelite mineral phase: crystal structure and thermodynamic and mechanical stability by using periodic DFT. RSC Advance. 8 - 43, pp. 24599 – 24616 (2018).
https://doi.org/10.1039/C8RA04678F

Fernández, A.M.; Kaufhold, S.; Sánchez-Ledesma, D.M.; Rey, J.J.; Melón, A.; Robredo, L.M.; Fernández, S.; Labajo, M.A.; Clavero, M.A.,. Evolution of the THC conditions in the FEBEX in situ test after 18 years of experiment: Smectite crystallochemical modifications after interactions of the bentonite with a C-steel heater at 100 °C. Applied Geochemistry. 98, pp. 152 – 171 (2018).
https://doi.org/10.1016/j.apgeochem.2018.09.008

Pelayo, M.; Marco, J. F.; Fernández, A. M.; Vergara, L.; Melón, A. M.; Villar, L. Pérez del.,. Infrared and Mössbauer spectroscopy of Fe-rich smectites from Morrón de Mateo bentonite deposit (Spain). Clay Minerals. 53 - 1, pp. 17 – 17 (2018).
https://doi.org/10.1180/clm.2018.1

Huclier-Markai, S., Monteau, F; Fernández, A.M.; Vinsont, A.; Grambow, B., Natural Organic Matter contained in Clay Rock Pore Water: Direct Quantification at the molecular level using ESI-MS. Rapid Communications in Mass Spectrometry. 32 - 16, pp. 1331 – 1343 (2018).
https://doi.org/10.1002/rcm.8175

Debure, M.; Tournassat, Ch.; Lerouge, C.; Madé, B.; Robinet, J.C.; Fernández, A. M.; Grangeon, S.. Retention of arsenic, chromium and boron on an outcropping clay-rich rock formation (the Tégulines Clay, eastern France). Science of The Total Environment. 642, pp. 216 – 229 (2018).
https://doi.org/10.1016/j.scitotenv.2018.06.037

Colmenero, F.; Fernández, A.M., Cobos, J.,Vicente, T. Temperature-Dependent Gibbs Free Energies of Reaction of Uranyl-Containing Materials Based on Density Functional Theory. The Journal of Physical Chemistry C. 122 - 10, pp. 5268 – 5279 (2018).
https://doi.org/10.1021/acs.jpcc.7b12368

Colmenero, F.; Fernández, A.M., Cobos, J.,Vicente, T. Thermodynamic Properties of Uranyl-Containing Materials Based on Density Functional Theory. The Journal of Physical Chemistry C. 122 - 10, pp. 5254 – 5267 (2018).
https://doi.org/10.1021/acs.jpcc.7b12341

T. Missana, M.García-Gutiérrez, M. Mingarro, U. Alonso. Analysis of barium retention mechanisms on calcium silicate hydrate phases. Cement and Concrete Research 93, 8-16 (2017).
https://doi.org/10.1016/j.cemconres.2016.12.004

T. Missana, E Colás, F. Grandia, J.Olmeda, M.Mingarro, M. García-Gutiérrez, I.Munier, J.C. Robinet, M. Grivé. Sorption of radium onto Early Cretaceous clays (Gault and Plicatules Fm). Implications for repository of low-level long-lived radioactive waste. Applied Geochemistry, 86, 36-48 (2017).
https://doi.org/10.1016/j.apgeochem.2017.09.009