1 to 10 of 10 Results
Santoso, Ryan; Guignon, Lisa; Deissmann, Guido; Poonoosamy, Jenna, 2024, "Dataset for: Machine learning-assisted droplet microfluidics experiments for investigating metastability of amorphous calcium carbonate", https://doi.org/10.26165/JUELICH-DATA/RZ8RZ3, Jülich DATA, V1
This dataset contains experimental data used to train the cascading U-Net models and the DeepLabV3+ model for identifying ACC phase, vaterite crystals, and calcite crystals in droplet microfluidics. It also includes code for reproducing all data-driven machine learning results, w... |
Lange, Steve; Isaacs, Matthew; Klinkenberg, Martina; Read, David; Bosbach, Dirk; Deissmann, Guido, 2024, "Experimental data for: Uptake of iodine by cement hydration phases: Implications for radioactive waste disposal", https://doi.org/10.26165/JUELICH-DATA/FXSAYY, Jülich DATA, V1
This data set contains the following experimental data: specific surface area (SSA) of cement hydration phases and HCP used in the sorption experiments, pH of aqueous solutions equilibrated with various cement hydration phases and crushed HCP prepared from CEM I used in sorption... |
Brandt, Felix; Caes, Sébastien; Klinkenberg, Martina; Barthel, Juri; Liu, Sanheng; Lemmens, Karel; Bosbach, Dirk; Ferrand, Karine, 2024, "Experimental data for: Dissolution of simulated nuclear waste glass at high surface area to solution volume, high pH and 70 °C: comparison of International Simple Glass and SON68 glass", https://doi.org/10.26165/JUELICH-DATA/HC3IOI, Jülich DATA, V2
Long-term static dissolution experiments, lasting up to ~1500 days, were conducted on International Simple Glass (ISG) and SON68 glass under hyperalkaline pH, at 70 °C, and at a very high glass surface area to solution volume ratio. This dataset contains the experimental data of... |
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... |
