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Anharmonic effects on the dynamics of solid aluminium from <em>ab initio</em> simulations
Adams, D. J., Wang, L., Steinle-Neumann, G., Passerone, D., & Churakov, S. V. (2021). Anharmonic effects on the dynamics of solid aluminium from ab initio simulations. Journal of Physics: Condensed Matter, 33(17), 175501 (8 pp.). https://doi.org/10.1088/1361-648X/abc972
Cd&lt;sup&gt;2+&lt;/sup&gt; incorporation in small-pore LEV/ERI intergrown zeolites: a multi-methodological study
Cametti, G., Scheinost, A. C., & Churakov, S. V. (2021). Cd2+ incorporation in small-pore LEV/ERI intergrown zeolites: a multi-methodological study. Microporous and Mesoporous Materials, 313, 110835 (11 pp.). https://doi.org/10.1016/j.micromeso.2020.110835
Three-dimensional membrane imaging with X-ray ptychography: determination of membrane transport properties for membrane distillation
Cramer, K., Prasianakis, N. I., Niceno, B., Ihli, J., Holler, M., & Leyer, S. (2021). Three-dimensional membrane imaging with X-ray ptychography: determination of membrane transport properties for membrane distillation. Transport in Porous Media, 138, 265-284. https://doi.org/10.1007/s11242-021-01603-4
Incremental parameterisation of cash+ sublattice solid solution model against recent data for Na, K, and Al uptake in C-S-H
Dan Miron, G., Kulik, D. A., & Lothenbach, B. (2021). Incremental parameterisation of cash+ sublattice solid solution model against recent data for Na, K, and Al uptake in C-S-H. In B. L. A. Pichler, P. J. McDonald, B. Lothenbach, K. Scrivener, V. Bortolotti, & M. Ben Haha (Eds.), ERICA CASH II final conference (pp. 53-54). Technische Universität Wien.
Pb<sup>2+</sup> uptake by magnesite: the competition between thermodynamic driving force and reaction kinetics
Di Lorenzo, F., Arnold, T., & Churakov, S. V. (2021). Pb2+ uptake by magnesite: the competition between thermodynamic driving force and reaction kinetics. Minerals, 11(4), 415 (18 pp.). https://doi.org/10.3390/min11040415
The effect of pH, ionic strength and the presence of Pb<sup>II</sup> on the formation of calcium carbonate from homogenous alkaline solutions at room temperature
Di Lorenzo, F., Steiner, K., & Churakov, S. V. (2021). The effect of pH, ionic strength and the presence of PbII on the formation of calcium carbonate from homogenous alkaline solutions at room temperature. Minerals, 11(7), 783 (15 pp.). https://doi.org/10.3390/min11070783
A micro-XAS and XRD study of the crystalline alkali-silica reaction products
Geng, G., Shi, Z., Lothenbach, B., Leemann, A., Wieland, E., & Dähn, R. (2021). A micro-XAS and XRD study of the crystalline alkali-silica reaction products. In A. Lopes Batista, A. Santos Silva, I. Fernandes, L. Oliveira Santos, J. Custódio, & C. Serra (Eds.), Vol. 1. Proceedings of the 16th international conference on alkali-aggregate reaction in concrete (pp. 15-23). Laboratório Nacional de Engenharia Civil.
An in-situ 3D micro-XRD investigation of water uptake by alkali-silica-reaction (ASR) product
Geng, G., Barbotin, S., Shakoorioskooie, M., Shi, Z., Leemann, A., Sanchez, D. F., … Dähn, R. (2021). An in-situ 3D micro-XRD investigation of water uptake by alkali-silica-reaction (ASR) product. Cement and Concrete Research, 141, 106331 (8 pp.). https://doi.org/10.1016/j.cemconres.2020.106331
Two-phase transport in a cemented waste package considering spatio-temporal evolution of chemical conditions
Huang, Y., Shao, H., Wieland, E., Kolditz, O., & Kosakowski, G. (2021). Two-phase transport in a cemented waste package considering spatio-temporal evolution of chemical conditions. npj Materials Degradation, 5(1), 4 (14 pp.). https://doi.org/10.1038/s41529-021-00150-z
In-situ X-ray fluorescence to investigate iodide diffusion in opalinus clay: demonstration of a novel experimental approach
Jaquenoud, M., Elam, W. T., Grundl, T., Gimmi, T., Jakob, A., Schefer, S., … Leupin, O. X. (2021). In-situ X-ray fluorescence to investigate iodide diffusion in opalinus clay: demonstration of a novel experimental approach. Chemosphere, 269, 128674 (11 pp.). https://doi.org/10.1016/j.chemosphere.2020.128674
Lattice Boltzmann model with generalized wall boundary conditions for arbitrary catalytic reactivity
Khatoonabadi, M., Prasianakis, N. I., & Mantzaras, J. (2021). Lattice Boltzmann model with generalized wall boundary conditions for arbitrary catalytic reactivity. Physical Review E, 103(6), 063303 (13 pp.). https://doi.org/10.1103/PhysRevE.103.063303
Sorption and electrochemical properties of ASR products and C-S-H: a comparative modelling study
Krattiger, N., Lothenbach, B., & Churakov, S. V. (2021). Sorption and electrochemical properties of ASR products and C-S-H: a comparative modelling study. In B. L. A. Pichler, P. J. McDonald, B. Lothenbach, K. Scrivener, V. Bortolotti, & M. Ben Haha (Eds.), ERICA CASH II final conference (pp. 69-70). Technische Universität Wien.
Sorption and electrokinetic properties of ASR product and C-S-H: a comparative modelling study
Krattiger, N., Lothenbach, B., & Churakov, S. V. (2021). Sorption and electrokinetic properties of ASR product and C-S-H: a comparative modelling study. Cement and Concrete Research, 146, 106491 (11 pp.). https://doi.org/10.1016/j.cemconres.2021.106491
On the concentration-dependent diffusion of sorbed cesium in Opalinus Clay
Krejci, P., Gimmi, T., & Van Loon, L. R. (2021). On the concentration-dependent diffusion of sorbed cesium in Opalinus Clay. Geochimica et Cosmochimica Acta, 298, 149-166. https://doi.org/10.1016/j.gca.2021.01.012
CemGEMS – an easy-to-use web application for thermodynamic modeling of cementitious materials
Kulik, D. A., Winnefeld, F., Kulik, A., Miron, G. D., & Lothenbach, B. (2021). CemGEMS – an easy-to-use web application for thermodynamic modeling of cementitious materials. RILEM Technical Letters, 6, 36-52. https://doi.org/10.21809/rilemtechlett.2021.140
Spectroscopic investigations on structural incorporation pathways of Fe&lt;sup&gt;III&lt;/sup&gt; into zeolite frameworks in cement-relevant environments
Ma, B., Fernandez-Martinez, A., Mancini, A., & Lothenbach, B. (2021). Spectroscopic investigations on structural incorporation pathways of FeIII into zeolite frameworks in cement-relevant environments. Cement and Concrete Research, 140, 106304 (14 pp.). https://doi.org/10.1016/j.cemconres.2020.106304
Coupling of multiscale lattice Boltzmann discrete-element method for reactive particle fluid flows
Maier, M. L., Patel, R. A., Prasianakis, N. I., Churakov, S. V., Nirschl, H., & Krause, M. J. (2021). Coupling of multiscale lattice Boltzmann discrete-element method for reactive particle fluid flows. Physical Review E, 103(3), 033306 (15 pp.). https://doi.org/10.1103/PhysRevE.103.033306
Fe(II) interaction with cement phases: method development, wet chemical studies and X-ray absorption spectroscopy
Mancini, A., Wieland, E., Geng, G., Lothenbach, B., Wehrli, B., & Dähn, R. (2021). Fe(II) interaction with cement phases: method development, wet chemical studies and X-ray absorption spectroscopy. Journal of Colloid and Interface Science, 588, 692-704. https://doi.org/10.1016/j.jcis.2020.11.085
Iron speciation in blast furnace slag cements
Mancini, A., Lothenbach, B., Geng, G., Grolimund, D., Sanchez, D. F., Fakra, S. C., … Wieland, E. (2021). Iron speciation in blast furnace slag cements. Cement and Concrete Research, 140, 106287 (18 pp.). https://doi.org/10.1016/j.cemconres.2020.106287
Thallium sorption by soil manganese oxides: insights from synchrotron X-ray micro-analyses on a naturally thallium-rich soil
Marafatto, F. F., Dähn, R., Grolimund, D., Göttlicher, J., & Voegelin, A. (2021). Thallium sorption by soil manganese oxides: insights from synchrotron X-ray micro-analyses on a naturally thallium-rich soil. Geochimica et Cosmochimica Acta, 302, 193-208. https://doi.org/10.1016/j.gca.2021.03.011
 

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