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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
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
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. 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
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
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
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
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. https://doi.org/10.1039/C9JA00394K
Framework modifications and dehydration path of a Ag<sup>+</sup>-modified zeolite with STI framework type
Cametti, G., Scheinost, A. C., Giordani, M., & Churakov, S. V. (2019). Framework modifications and dehydration path of a Ag+-modified zeolite with STI framework type. Journal of Physical Chemistry C, 123(22), 13651-13663. https://doi.org/10.1021/acs.jpcc.9b01976
Structural modifications and thermal stability of Cd<sup>2+</sup>-exchanged stellerite, a zeolite with STI framework type
Cametti, G., Scheinost, A. C., & Churakov, S. V. (2019). Structural modifications and thermal stability of Cd2+-exchanged stellerite, a zeolite with STI framework type. Journal of Physical Chemistry C, 123(41), 25236-25245. https://doi.org/10.1021/acs.jpcc.9b07297
Modelling Ra-bearing baryte nucleation/precipitation kinetics at the pore scale: application to radioactive waste disposal
Curti, E., Xto, J., Borca, C. N., Henzler, K., Huthwelker, T., & Prasianakis, N. I. (2019). Modelling Ra-bearing baryte nucleation/precipitation kinetics at the pore scale: application to radioactive waste disposal. European Journal of Mineralogy, 31(2), 247-262. https://doi.org/10.1127/ejm/2019/0031-2818
The key effects of polymorphism during Pb<sup>II</sup> uptake by calcite and aragonite
Di Lorenzo, F., Ruiz-Agudo, C., & Churakov, S. V. (2019). The key effects of polymorphism during PbII uptake by calcite and aragonite. CrystEngComm, 21(41), 6145-6155. https://doi.org/10.1039/C9CE01040H
Three-Dimensional pore-scale modeling of fracture evolution in heterogeneous carbonate caprock subjected to CO<sub>2</sub>-enriched brine
Fazeli, H., Patel, R. A., Ellis, B. R., & Hellevang, H. (2019). Three-Dimensional pore-scale modeling of fracture evolution in heterogeneous carbonate caprock subjected to CO2-enriched brine. Environmental Science and Technology, 53(8), 4630-4639. https://doi.org/10.1021/acs.est.8b05653
The hydration of <i>β</i>- and <i>α</i>′<sub>H</sub>-dicalcium silicates: an X-ray spectromicroscopic study
Geng, G., Li, J., Zhang, W., Yu, Y. S., Shapiro, D. A., & Monteiro, P. J. M. (2019). The hydration of β- and αH-dicalcium silicates: an X-ray spectromicroscopic study. ACS Sustainable Chemistry and Engineering, 7(2), 2316-2326. https://doi.org/10.1021/acssuschemeng.8b05060
Water retention and diffusion in unsaturated clays: connecting atomistic and pore scale simulations
Gimmi, T., & Churakov, S. V. (2019). Water retention and diffusion in unsaturated clays: connecting atomistic and pore scale simulations. Applied Clay Science, 175, 169-183. https://doi.org/10.1016/j.clay.2019.03.035
Real-time observation of fibrous zeolites reactivity in contact with simulated lung fluids (SLFs) obtained by atomic force microscope (AFM)
Giordani, M., Cametti, G., Di Lorenzo, F., & Churakov, S. V. (2019). Real-time observation of fibrous zeolites reactivity in contact with simulated lung fluids (SLFs) obtained by atomic force microscope (AFM). Minerals, 9(2), 83 (23 pp.). https://doi.org/10.3390/min9020083
Corrosion of irradiated steel in cementitious environment: speciation of carbon-14
Guillemot, T., Wieland, E., Kunz, D., Tits, J., Salazar, G., & Szidat, S. (2019). Corrosion of irradiated steel in cementitious environment: speciation of carbon-14. Presented at the 5th International workshop on mechanisms and modelling of waste / cement interaction. Karlsruhe, Germany.
Understanding the carbon speciation during iron corrosion in alkaline anoxic conditions for safety assessment of radioactive waste repositories
Guillemot, T., Wieland, E., Kunz, D., & Cvetković, B. (2019). Understanding the carbon speciation during iron corrosion in alkaline anoxic conditions for safety assessment of radioactive waste repositories. Presented at the 7th international workshop on long-term prediction of corrosion damage in nuclear waste systems (LTC 2019). Nancy, France.
Where to find equilibrium constants?
Hummel, W., Filella, M., & Rowland, D. (2019). Where to find equilibrium constants? Science of the Total Environment, 692, 49-59. https://doi.org/10.1016/j.scitotenv.2019.07.161
 

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