1 to 7 of 7 Results
Rudin, Stefan; Kowalski, Piotr; Klinkenberg, Martina; Bosbach, Dirk; Brandt, Felix, 2024, "Simulation data for: The anisotropy of barite during crystal growth and the uptake of Radium", https://doi.org/10.26165/JUELICH-DATA/TMXM7D, Jülich DATA, V1
The role of Ba2+ kink-site nucleation and step growth for the kinetics of anisotropic barite-(001) growth and Ra2+ kink-site nucleation for the activation energy of Ra uptake into the barite structure was investigated using atomistic modeling approaches. Ba2+ and Ra2+ kink-site n... |
Nov 21, 2023
Ait Mouheb, Naila; Macé, Nathalie; Henocq, Pierre; Bosbach, Dirk; Deissmann, Guido, 2023, "Experimental data: Effect of Organic Degradation Products on the Migration Behaviour of Radionuclides in Cementitious Materials", https://doi.org/10.26165/JUELICH-DATA/PCZCKP, Jülich DATA, V1
The experimental data consist of derived sorption parameters for 241Am and 152Eu under CEM V/A HCP cementitious materials as a function of phthalic acid additions. Solubility data obtained from thermodynamic modelling demonstrate the impact of phthalic acid on the speciation and... |
Nov 21, 2023
Rudin, Stefan; Kowalski, Piotr; Klinkenberg, Martina; Bornhake, Thomas; Bosbach, Dirk; Brandt, Felix, 2023, "Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001)", https://doi.org/10.26165/JUELICH-DATA/7H8VDF, Jülich DATA, V2
The ability of a hybrid density functional theory (DFT)-continuum solvation approach was tested to simulate processes relevant to sorption and crystal growth at the solid-water interface with the highest possible accuracy. The focus was on studying the nucleation of Ba2+ kinks at... |
Oct 12, 2023
Poonoosamy, Jenna; Obaied, Abdulmonem; Deissmann, Guido; Prasianakis, Nikolaos I.; Kindelmann, Moritz; Wollenhaupt, Bastian; Bosbach, Dirk; Curti, Enzo, 2023, "Experimental data for Microfluidic investigation of pore-size dependency of barite nucleation", https://doi.org/10.26165/JUELICH-DATA/2SCFCA, Jülich DATA, V1
In this study, we report results on the crystallization of Barite. Our analyses are based on micro-batch and microfluidic experiments. We report in txt files the Raman measurements from the micro-batch experiments and in excel sheets the raw datasets summarizing the effect of sat... |
Oct 10, 2023
Ait Mouheb, Naila; Yang, Yuankai; Deissmann, Guido; Klinkenberg, Martina; Poonoosamy, Jenna; Vinograd, Victor; Van Loon, Luc R.; Bosbach, Dirk, 2023, "Experimental data for: Retention of 226Ra in the sandy Opalinus Clay facies from the Mont Terri rock laboratory, Switzerland", https://doi.org/10.26165/JUELICH-DATA/IFD1I9, Jülich DATA, V1
In this study, we report results of the impact of the natural heterogeneity of sandy facies of the Opalinus clay (OPA-SF) on 226Ra uptake in drill core (BAD 1) samples from the Mont Terri underground rock laboratory. The samples were carefully characterized with respect to minera... |
Jun 20, 2023
Yang, Yuankai, 2023, "Simulation data for: Pore-scale modeling of water and ion diffusion in partially saturated clays", https://doi.org/10.26165/JUELICH-DATA/JINHGU, Jülich DATA, V1
This dataset contains a table of simulated relative effective diffusion coefficients in partially saturated clays under various conditions by a pore-scale model. In addition, the electric potential distribution and the concentration distributions of tritiated water, 22Na+ and 125... |
Mar 21, 2023
Marques Fernandes, Maria; Klinkenberg, Martina; Baeyens, Bart; Brandt, Felix, 2023, "Experimental data for: Adsorption of Ba and 226Ra on illite: a comparative experimental and modelling study", https://doi.org/10.26165/JUELICH-DATA/SECCU6, Jülich DATA, V2
The adsorption of Ba and 226Ra on Na-illite (Illite du Puy, IdP) was studied in single element experiments as a function of pH and ionic strength. In addition, 137Ba/133Ba isotherms at different pH values were measured and the adsorption of trace 226Ra was quantified as a functio... |
