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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., … 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., … 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
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., … 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
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., … 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
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., … 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
Time-resolved porosity changes at cement-clay interfaces derived from neutron imaging
Shafizadeh, A., Gimmi, T., Van Loon, L. R., Kaestner, A. P., Mäder, U. K., & Churakov, S. V. (2020). Time-resolved porosity changes at cement-clay interfaces derived from neutron imaging. Cement and Concrete Research, 127, 105924 (11 pp.). https://doi.org/10.1016/j.cemconres.2019.105924
Solving the Nernst-Planck equation in heterogeneous porous media with finite volume methods: averaging approaches at interfaces
Tournassat, C., Steefel, C. I., & Gimmi, T. (2020). Solving the Nernst-Planck equation in heterogeneous porous media with finite volume methods: averaging approaches at interfaces. Water Resources Research, 56(3), e2019WR026832 (10 pp.). https://doi.org/10.1029/2019WR026832
Geochemical modelling of the effect of waste degradation processes on the long-term performance of waste forms
Wieland, E., Kosakowski, G., Lothenbach, B., & Kulik, D. A. (2020). Geochemical modelling of the effect of waste degradation processes on the long-term performance of waste forms. Applied Geochemistry, 115, 104539 (15 pp.). https://doi.org/10.1016/j.apgeochem.2020.104539
Synchrotron hard X-ray chemical imaging of trace element speciation in heterogeneous samples: development of criteria for uncertainty analysis
Wielinski, J., Femi Marafatto, F., Gogos, A., Scheidegger, A., Voegelin, A., Müller, C. R., … Kaegi, R. (2020). Synchrotron hard X-ray chemical imaging of trace element speciation in heterogeneous samples: development of criteria for uncertainty analysis. Journal of Analytical Atomic Spectrometry, 35(3), 567-579. https://doi.org/10.1039/C9JA00394K
Comparative modeling of ions and solvent properties in Ca-Na montmorillonite by atomistic simulations and fluid density functional theory
Yang, G., Prasianakis, N. I., & Churakov, S. V. (2020). Comparative modeling of ions and solvent properties in Ca-Na montmorillonite by atomistic simulations and fluid density functional theory. Clays and Clay Minerals, 68(2), 100-114. https://doi.org/10.1007/s42860-019-00058-5
 

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