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Uncertainty and sensitivity analysis of the chemistry of cesium sorption in deep geological repositories
Ayoub, A., Pfingsten, W., Podofillini, L., & Sansavini, G. (2020). Uncertainty and sensitivity analysis of the chemistry of cesium sorption in deep geological repositories. Applied Geochemistry, 117, 104607 (12 pp.). https://doi.org/10.1016/j.apgeochem.2020.104607
Analysis of atomistic structural deformation characteristics of calcium silicate hydrate in 53-year-old tricalcium silicate paste using atomic pair distribution function
Bae, S., Jee, H., Suh, H., Kanematsu, M., Shiro, A., Machida, A., Watanuki, T., Shobu, T., Morooka, S., Geng, G., & Suzuki, H. (2020). Analysis of atomistic structural deformation characteristics of calcium silicate hydrate in 53-year-old tricalcium silicate paste using atomic pair distribution function. Construction and Building Materials, 237, 117714 (10 pp.). https://doi.org/10.1016/j.conbuildmat.2019.117714
Oxygen potential calculations for conventional and Cr-doped UO<sub>2</sub> fuels based on solid solution thermodynamics
Curti, E., & Kulik, D. A. (2020). Oxygen potential calculations for conventional and Cr-doped UO2 fuels based on solid solution thermodynamics. Journal of Nuclear Materials, 534, 152140 (18 pp.). https://doi.org/10.1016/j.jnucmat.2020.152140
A framework for reactive transport modeling using FEniCS-Reaktoro: governing equations and benchmarking results
Damiani, L. H., Kosakowski, G., Glaus, M. A., & Churakov, S. V. (2020). A framework for reactive transport modeling using FEniCS-Reaktoro: governing equations and benchmarking results. Computational Geosciences. https://doi.org/10.1007/s10596-019-09919-3
Profiles of chloride in matrix porewater as natural tracer for matrix diffusion in crystalline rocks
Eichinger, F., Gimmi, T., Möri, A., & Rüedi, J. (2020). Profiles of chloride in matrix porewater as natural tracer for matrix diffusion in crystalline rocks. Applied Geochemistry, 118, 104635 (12 pp.). https://doi.org/10.1016/j.apgeochem.2020.104635
Pore-scale modeling of nucleation and growth in porous media
Fazeli, H., Masoudi, M., Patel, R. A., Aagaard, P., & Hellevang, H. (2020). Pore-scale modeling of nucleation and growth in porous media. ACS Earth and Space Chemistry, 4(2), 249-260. https://doi.org/10.1021/acsearthspacechem.9b00290
Atomistic structure of alkali-silica reaction products refined from X-ray diffraction and micro X-ray absorption data
Geng, G., Shi, Z., Leemann, A., Borca, C., Huthwelker, T., Glazyrin, K., Pekov, I. V., Churakov, S., Lothenbach, B., Dähn, R., & Wieland, E. (2020). Atomistic structure of alkali-silica reaction products refined from X-ray diffraction and micro X-ray absorption data. Cement and Concrete Research, 129, 105958 (11 pp.). https://doi.org/10.1016/j.cemconres.2019.105958
Mechanical behavior and phase change of alkali-silica reaction products under hydrostatic compression
Geng, G., Shi, Z., Leemann, A., Glazyrin, K., Kleppe, A., Daisenberger, D., Churakov, S., Lothenbach, B., Wieland, E., & Dähn, R. (2020). Mechanical behavior and phase change of alkali-silica reaction products under hydrostatic compression. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 76(4), 674-682. https://doi.org/10.1107/S205252062000846X
A coherent approach for cation surface diffusion in clay minerals and cation sorption models: diffusion of Cs<sup>+</sup> and Eu<sup>3+</sup> in compacted illite as case examples
Glaus, M. A., Frick, S., & Van Loon, L. R. (2020). A coherent approach for cation surface diffusion in clay minerals and cation sorption models: diffusion of Cs+ and Eu3+ in compacted illite as case examples. Geochimica et Cosmochimica Acta, 274, 79-96. https://doi.org/10.1016/j.gca.2020.01.054
Retention and diffusion of radioactive and toxic species on cementitious systems: main outcome of the CEBAMA project
Grambow, B., López-García, M., Olmeda, J., Grivé, M., Marty, N. C. M., Grangeon, S., Claret, F., Lange, S., Deissmann, G., Klinkenberg, M., Bosbach, D., Bucur, C., Florea, I., Dobrin, R., Isaacs, M., Read, D., Kittnerová, J., Drtinová, B., Vopálka, D., … Ribet, S. (2020). Retention and diffusion of radioactive and toxic species on cementitious systems: main outcome of the CEBAMA project. Applied Geochemistry, 112, 104480 (14 pp.). https://doi.org/10.1016/j.apgeochem.2019.104480
Processes leading to reduced and oxidised carbon compounds during corrosion of zero-valent iron in alkaline anoxic conditions
Guillemot, T., Cvetković, B. Z., Kunz, D., & Wieland, E. (2020). Processes leading to reduced and oxidised carbon compounds during corrosion of zero-valent iron in alkaline anoxic conditions. Chemosphere, 250, 126230 (8 pp.). https://doi.org/10.1016/j.chemosphere.2020.126230
Reactive transport modelling of a low-pH concrete / clay interface
Idiart, A., Laviña, M., Kosakowski, G., Cochepin, B., Meeussen, J. C. L., Samper, J., Mon, A., Montoya, V., Munier, I., Poonoosamy, J., Montenegro, L., Deissmann, G., Rohmen, S., Hax Damiani, L., Coene, E., & Nieves, A. (2020). Reactive transport modelling of a low-pH concrete / clay interface. Applied Geochemistry, 115, 104562 (16 pp.). https://doi.org/10.1016/j.apgeochem.2020.104562
Accelerating reactive transport modeling: on-demand machine learning algorithm for chemical equilibrium calculations
Leal, A. M. M., Kyas, S., Kulik, D. A., & Saar, M. O. (2020). Accelerating reactive transport modeling: on-demand machine learning algorithm for chemical equilibrium calculations. Transport in Porous Media, 133, 161-204. https://doi.org/10.1007/s11242-020-01412-1
Microstructural study of hydration of C<sub>3</sub>S in the presence of calcium nitrate using scanning transmission X-ray microscopy (STXM)
Li, Q., Wang, Y., Geng, G., Chen, H., Hou, P., Cheng, X., Monteiro, P. J. M., Huang, S., & Kim, J. H. (2020). Microstructural study of hydration of C3S in the presence of calcium nitrate using scanning transmission X-ray microscopy (STXM). Journal of Nanomaterials, 2020, 8419130 (9 pp.). https://doi.org/10.1155/2020/8419130
Evolution of HTO and <sup>36</sup>Cl<sup>-</sup> diffusion through a reacting cement-clay interface (OPC paste-Na montmorillonite) over a time of six years
Luraschi, P., Gimmi, T., Van Loon, L. R., Shafizadeh, A., & Churakov, S. V. (2020). Evolution of HTO and 36Cl- diffusion through a reacting cement-clay interface (OPC paste-Na montmorillonite) over a time of six years. Applied Geochemistry, 119, 104581 (13 pp.). https://doi.org/10.1016/j.apgeochem.2020.104581
Generating isocoulombic reactions as a tool for systematic evaluation of temperature trends of thermodynamic properties: application to aquocomplexes of lanthanides and actinides
Miron, G. D., Kulik, D. A., & Thoenen, T. (2020). Generating isocoulombic reactions as a tool for systematic evaluation of temperature trends of thermodynamic properties: application to aquocomplexes of lanthanides and actinides. Geochimica et Cosmochimica Acta, 286, 119-142. https://doi.org/10.1016/j.gca.2020.07.020
Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set
Molins, S., Soulaine, C., Prasianakis, N. I., Abbasi, A., Poncet, P., Ladd, A. J. C., Starchenko, V., Roman, S., Trebotich, D., Tchelepi, H. A., & Steefel, C. I. (2020). Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set. Computational Geosciences. https://doi.org/10.1007/s10596-019-09903-x
Uptake of iodide by calcium aluminate phases (AFm phases)
Nedyalkova, L., Lothenbach, B., Geng, G., Mäder, U., & Tits, J. (2020). Uptake of iodide by calcium aluminate phases (AFm phases). Applied Geochemistry, 116, 104559 (13 pp.). https://doi.org/10.1016/j.apgeochem.2020.104559
Effects of solution supersaturation on barite precipitation in porous media and consequences on permeability: experiments and modelling
Poonoosamy, J., Klinkenberg, M., Deissmann, G., Brandt, F., Bosbach, D., Mäder, U., & Kosakowski, G. (2020). Effects of solution supersaturation on barite precipitation in porous media and consequences on permeability: experiments and modelling. Geochimica et Cosmochimica Acta, 270, 43-60. https://doi.org/10.1016/j.gca.2019.11.018
Neural network based process coupling and parameter upscaling in reactive transport simulations
Prasianakis, N. I., Haller, R., Mahrous, M., Poonoosamy, J., Pfingsten, W., & Churakov, S. V. (2020). Neural network based process coupling and parameter upscaling in reactive transport simulations. Geochimica et Cosmochimica Acta. https://doi.org/10.1016/j.gca.2020.07.019
 

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