A5028368987- Calcium Carbonate Crystallization and Inhibition
- Minerals Flotation and Separation Techniques
- Spectroscopy and Quantum Chemical Studies
- Paleontology and Stratigraphy of Fossils
- Iron oxide chemistry and applications
- Photopolymerization techniques and applications
- Crystallization and Solubility Studies
- Advanced Polymer Synthesis and Characterization
- High-pressure geophysics and materials
- Mass Spectrometry Techniques and Applications
- Catalytic Processes in Materials Science
- Metal Extraction and Bioleaching
- Electrochemical Analysis and Applications
- Membrane-based Ion Separation Techniques
- CO2 Sequestration and Geologic Interactions
- Electrostatics and Colloid Interactions
- Additive Manufacturing and 3D Printing Technologies
- Dyeing and Modifying Textile Fibers
- Computer Graphics and Visualization Techniques
- Force Microscopy Techniques and Applications
- Theoretical and Computational Physics
- Clay minerals and soil interactions
Utrecht University
2017-2025
University of Amsterdam
2017
FeS nucleation is generally more favourable in excess of sulphide compared to iron.
The dehydration of cations is generally accepted as the rate-limiting step in many processes. Molecular dynamics (MD) can be used to investigate water molecules around cations, and two different methods exist obtain trajectory-based frequencies. Here, these post-processing (direct method versus survival function) have been implemented calcium frequencies from a series trajectories obtained using range force fields. None combinations reproduced commonly experimental exchange frequency 10–8.2...
Magnesium (Mg2+) is one of the most common impurities in calcite and known to have a non-linear impact on solubility magnesian calcites. Using molecular dynamics (MD), we observed that Mg2+ impacts overall surface energies, local free energy profiles, interfacial water density, structure and, at higher concentrations, it also causes crystal deformation. Low Mg concentrations did not alter structure, but stabilised Ca2+ locally tended increase etch pit nucleation energy. As result,...
Abstract Minerals form in natural systems from solutions with varying ratios of their lattice ions, yet non‐stoichiometric conditions have generally been overlooked investigations new formation (nucleation) ionic crystals. Here, we investigated the influence cation:anion ratio solution on initial steps nucleation by studying positively and negatively charged triple ion complexes subsequent particle size evolution. Our model are carbonates sulfates calcium barium, as it was recently shown...
The impact of solution stoichiometry on the nucleation and growth BaSO4 was studied by measuring transmittance subsequent fitting to a crystallization model. Our results show that large excess either Ba2+ or SO42– ions inhibits both BaSO4. However, for small Ba2+, is enhanced. dependence rates supersaturation captured semiempirical rate Hence, highly relevant parameter while studying all aspects crystallization, it could be worthwhile examine other minerals similarly.
The curing characteristics of an ultraviolet (UV) ink layer are utmost importance for the development UV inks. Measuring either bulk or bottom cure in itself is not new and has been subject many articles. In this article, two methods described based on Fourier transform infrared (FT-IR) spectrometry to measure real time simultaneously a thin layer. procedure consists applying (10–12 µm) UV-curing attenuated total reflection (ATR) crystal. measured with ATR. analysis (method 1) transmission...
Drinking water softening has primarily prioritized public health, environmental benefits, social costs and enhanced client comfort. Annually, over 35 billion cubic meters of is softened worldwide, often utilizing three main techniques: nanofiltration, ion exchange seeded crystallization by pellet softening. However, recent modifications in softening, including changes seeding materials acid conditioning used post-softening, have not fully achieved desired flexibility optimization. This...
In order to use classical molecular dynamics complement experiments accurately, it is important robust descriptions of the system. The interactions between biomolecules, like aspartic and glutamic acid, dissolved ions are often studied using standard biomolecular force-fields, where biomolecules cations not parameterized explicitly. this study, we have employed metadynamics simulations investigate different Ca with acid constructed free energy profiles Ca2+-carboxylate association. Starting...