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Reactive transport modeling of diffusive mobility and retention of TcO<sub>4</sub><sup>−</sup> in Opalinus clay
Chen, P., Van Loon, L. R., Koch, S., Alt-Epping, P., Reich, T., & Churakov, S. V. (2024). Reactive transport modeling of diffusive mobility and retention of TcO4 in Opalinus clay. Applied Clay Science, 251, 107327 (8 pp.). https://doi.org/10.1016/j.clay.2024.107327
Performance analysis of data-driven and physics-informed machine learning methods for thermal-hydraulic processes in Full-scale Emplacement experiment
Hu, G., Prasianakis, N., Churakov, S. V., & Pfingsten, W. (2024). Performance analysis of data-driven and physics-informed machine learning methods for thermal-hydraulic processes in Full-scale Emplacement experiment. Applied Thermal Engineering, 245, 122836 (17 pp.). https://doi.org/10.1016/j.applthermaleng.2024.122836
Stability and speciation of hydrated magnetite {111} surfaces from ab initio simulations with relevance for geochemical redox processes
Katheras, A. S., Karalis, K., Krack, M., Scheinost, A. C., & Churakov, S. V. (2024). Stability and speciation of hydrated magnetite {111} surfaces from ab initio simulations with relevance for geochemical redox processes. Environmental Science and Technology, 58, 935-946. https://doi.org/10.1021/acs.est.3c07202
Three-dimensional modelling of cavitation bubble collapse using non-orthogonal multiple-relaxation-time lattice Boltzmann method
Peng, H., Fei, L., He, X., Carmeliet, J., Churakov, S. V., & Prasianakis, N. I. (2024). Three-dimensional modelling of cavitation bubble collapse using non-orthogonal multiple-relaxation-time lattice Boltzmann method. Ocean Engineering, 294, 116720 (19 pp.). https://doi.org/10.1016/j.oceaneng.2024.116720
Pb removal efficiency by calcium carbonates: biogenic versus abiogenic materials
Roza-Llera, A., Di Lorenzo, F., Churakov, S. V., Jiménez, A., & Fernández-Díaz, L. (2024). Pb removal efficiency by calcium carbonates: biogenic versus abiogenic materials. Crystal Growth and Design, 24(1), 79-92. https://doi.org/10.1021/acs.cgd.3c00517
Crosslinking and pyrolysis of a methyl-silsesquioxane: Effect of heating rate on fabrication of polymer derived mullite ceramics using thermoplastic shaping
Sarraf, F., Hadian, A., Gfeller, F., Churakov, S. V., & Clemens, F. (2024). Crosslinking and pyrolysis of a methyl-silsesquioxane: Effect of heating rate on fabrication of polymer derived mullite ceramics using thermoplastic shaping. Materials and Design, 237, 112578 (13 pp.). https://doi.org/10.1016/j.matdes.2023.112578
Thermodynamic model of MSWI flue gas cooling path: Effect of flue gas composition on heavy metal binding forms
Wolffers, M., Kulik, D. A., Miron, G. D., Eggenberger, U., & Churakov, S. V. (2024). Thermodynamic model of MSWI flue gas cooling path: Effect of flue gas composition on heavy metal binding forms. Waste Management and Research, 42(3), 273-284. https://doi.org/10.1177/0734242X231178213
Pore-scale modeling of water and ion diffusion in partially saturated clays
Yang, Y., Churakov, S. V., Patel, R. A., Prasianakis, N., Deissmann, G., Bosbach, D., & Poonoosamy, J. (2024). Pore-scale modeling of water and ion diffusion in partially saturated clays. Water Resources Research, 60(1), e2023WR035595 (23 pp.). https://doi.org/10.1029/2023WR035595
Classification of perovskite structural types with dynamical octahedral tilting
Adams, D. J., & Churakov, S. V. (2023). Classification of perovskite structural types with dynamical octahedral tilting. IUCrJ, 10, 309-320. https://doi.org/10.1107/S2052252523002208
Impact of Fe(II) on <sup>99</sup>Tc diffusion behavior in illite
Chen, P., Churakov, S. V., Glaus, M., & Van Loon, L. R. (2023). Impact of Fe(II) on 99Tc diffusion behavior in illite. Applied Geochemistry, 156, 105759 (9 pp.). https://doi.org/10.1016/j.apgeochem.2023.105759
Digitalisation for nuclear waste management: predisposal and disposal
Kolditz, O., Jacques, D., Claret, F., Bertrand, J., Churakov, S. V., Debayle, C., … Wendling, J. (2023). Digitalisation for nuclear waste management: predisposal and disposal. Environmental Earth Sciences, 82(1), 42 (11 pp.). https://doi.org/10.1007/s12665-022-10675-4
Diffusion and gas flow dynamics in partially saturated smectites
Owusu, J. P., Karalis, K., Prasianakis, N. I., & Churakov, S. V. (2023). Diffusion and gas flow dynamics in partially saturated smectites. Journal of Physical Chemistry C, 127(29), 14425-14438. https://doi.org/10.1021/acs.jpcc.3c02264
Oxidation state and structure of Fe in nontronite: from oxidizing to reducing conditions
Qian, Y., Scheinost, A. C., Grangeon, S., Greneche, J. M., Hoving, A., Bourhis, E., … Marques Fernandes, M. (2023). Oxidation state and structure of Fe in nontronite: from oxidizing to reducing conditions. ACS Earth and Space Chemistry, 7(10), 1868-1881. https://doi.org/10.1021/acsearthspacechem.3c00136
Preceramic polymers for additive manufacturing of silicate ceramics
Sarraf, F., Churakov, S. V., & Clemens, F. (2023). Preceramic polymers for additive manufacturing of silicate ceramics. Polymers, 15(22), 4360 (29 pp.). https://doi.org/10.3390/polym15224360
Long-term radionuclide retention in the near field: collaborative R&amp;D studies within EURAD focusing on container optimisation, mobility, mechanisms and monitoring
Altmaier, M., Bertrand, J., Churakov, S., & Diomidis, N. (2022). Long-term radionuclide retention in the near field: collaborative R&D studies within EURAD focusing on container optimisation, mobility, mechanisms and monitoring. EPJ Nuclear Sciences and Technologies, 8, 27 (12 pp.). https://doi.org/10.1051/epjn/2022022
Pb<sub>x</sub>(OH)<sub>y</sub> cluster formation and anomalous thermal behaviour in STI framework-type zeolites
Cametti, G., Roos, D. P., Prieur, D., Scheinost, A. C., & Churakov, S. V. (2022). Pbx(OH)y cluster formation and anomalous thermal behaviour in STI framework-type zeolites. Scientific Reports, 12(1), 15934 (12 pp.). https://doi.org/10.1038/s41598-022-20317-1
Role of lone-pair electron localization in temperature-induced phase transitions in mimetite
Cametti, G., Nagashima, M., & Churakov, S. V. (2022). Role of lone-pair electron localization in temperature-induced phase transitions in mimetite. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, B78, 618-626. https://doi.org/10.1107/S2052520622006254
Sorption mechanism of Fe(II) on illite: sorption and modelling
Chen, P., Van Loon, L. R., Fernandes, M. do S. M., & Churakov, S. (2022). Sorption mechanism of Fe(II) on illite: sorption and modelling. Applied Geochemistry, 143, 105389 (8 pp.). https://doi.org/10.1016/j.apgeochem.2022.105389
Hydrogen gas transfer between a borehole and claystone: experiment and geochemical model
Damiani, L. H., Kosakowski, G., Vinsot, A., & Churakov, S. V. (2022). Hydrogen gas transfer between a borehole and claystone: experiment and geochemical model. Environmental Geotechnics. https://doi.org/10.1680/jenge.21.00061
Petrophysical initialization of core-scale reactive transport simulations on Indiana limestones: pore-scale characterization, spatial autocorrelations, and representative elementary volume analysis
Mahrous, M., Curti, E., Churakov, S. V., & Prasianakis, N. I. (2022). Petrophysical initialization of core-scale reactive transport simulations on Indiana limestones: pore-scale characterization, spatial autocorrelations, and representative elementary volume analysis. Journal of Petroleum Science and Engineering, 213, 110389 (21 pp.). https://doi.org/10.1016/j.petrol.2022.110389
 

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