| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Calero, Sofía
Eindhoven University of Technology
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (34/34 displayed)
- 2024A simulation study of linker vacancy distribution and its effect on UiO-66 stabilitycitations
- 2024Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: Band gap tuning: Via iron substitutions
- 2024Temperature-Dependent Chirality in Halide Perovskitescitations
- 2024Adapted thermodynamical model for the prediction of adsorption in nanoporous materialscitations
- 2024Halogen-Decorated Metal-Organic Frameworks for Efficient and Selective CO2 Capture, Separation, and Chemical Fixation with Epoxides under Mild Conditionscitations
- 2022Thermostructural Characterization of Silicon Carbide Nanocomposite Materials via Molecular Dynamics Simulationscitations
- 2022Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesiscitations
- 2022What Happens at Surfaces and Grain Boundaries of Halide Perovskites:Insights from Reactive Molecular Dynamics Simulations of CsPbI 3citations
- 2022What Happens at Surfaces and Grain Boundaries of Halide Perovskitescitations
- 2020Further Extending the Dilution Range of the “Solvent-in-DES” Regime upon the Replacement of Water by an Organic Solvent with Hydrogen Bond Capabilitiescitations
- 2020Efficient modelling of ion structure and dynamics in inorganic metal halide perovskitescitations
- 2019Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materialscitations
- 2018Electronic structure of porphyrin-based metal– organic frameworks and their suitability for solar fuel production photocatalysis
- 2018iRASPAcitations
- 2018Role of Ionic Liquid [EMIM]+[SCN]- in the Adsorption and Diffusion of Gases in Metal-Organic Frameworkscitations
- 2018Influence of Flexibility on the Separation of Chiral Isomers in STW-Type Zeolitecitations
- 2017Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework seriescitations
- 2017Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysiscitations
- 2016Liquid self-diffusion of H2O and DMF molecules in Co-MOF-74citations
- 2016Storage and Separation of Carbon Dioxide and Methane in Hydrated Covalent Organic Frameworkscitations
- 2016RASPAcitations
- 2015Electronic structure of porphyrin-based metal-organic frameworks and their suitability for solar fuel production photocatalysiscitations
- 2015Thermostructural behaviour of Ni-Cr materialscitations
- 2015Design and development of a controlled pressure/temperature set-up for in situ studies of solid-gas processes and reactions in a synchrotron X-ray powder diffraction stationcitations
- 2015Molecular dynamics simulations of organohalide perovskite precursorscitations
- 2015Insights into the microscopic behaviour of nanoconfined watercitations
- 2014Exploring new methods and materials for enantioselective separations and catalysiscitations
- 2014Effect of the confinement and presence of cations on hydrogen bonding of water in LTA-type zeolitecitations
- 2014Hydrogen bonding of water confined in zeolites and their zeolitic imidazolate framework counterpartscitations
- 2010Analysis of the ITQ-12 zeolite performance in propane - Propylene separations using a combination of experiments and molecular simulationscitations
- 2010Effective Monte Carlo scheme for multicomponent gas adsorption and enantioselectivity in nanoporous materialscitations
- 2008Computing the heat of adsorption using molecular simulationscitations
- 2006Dynamically corrected transition state theory calculations of self-diffusion in anisotropic nanoporous materialscitations
- 2006Influence of cation Na/Ca ratio on adsorption in LTA 5Acitations
Places of action
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article
Further Extending the Dilution Range of the “Solvent-in-DES” Regime upon the Replacement of Water by an Organic Solvent with Hydrogen Bond Capabilities
Abstract
<p>Aqueous dilutions of deep eutectic solvents (DESs) have lately allowed exploring new and more demanding applications where neat DESs are not able to perform well. However, the use of DES dilutions with nonaqueous hydrogen-bond-forming solvents remains basically unexplored. It is worth noting the obvious interest of using organic solvents in those cases where any reagent or byproduct is nonsoluble, nonmiscible, or unstable in water, the presence of water might alter the reaction kinetics (for instance, when water is a byproduct), or a cosolvent with low vapor pressure allows exploring reaction processes (high temperatures or solvothermal conditions, among others) not suitable for water. Herein, we investigated benzyl alcohol (BA) dilutions of RUChCl, a DES composed of resorcinol (R), urea (U), and choline chloride (ChCl). In particular, neutron scattering, nuclear magnetic resonance, and Brillouin experiments revealed how BA was accommodated within the hydrogen-bond (HB) complex structure of RUChCl for BA contents of up to 67 wt % whereas this HB complex structure basically disappeared for higher BA contents. This behavior somehow resembled that found in aqueous solutions, with two well-differentiated regimes-e.g., the "solvent-in-DES"and the "DES-in-solvent"-depending on the DES content. However, the "solvent-in-DES"regime was preserved for much higher solvent contents of BA than H2O-e.g., 60-65 versus 18-20 wt %, respectively. Interestingly, the specific BA dilution where transition from one regime to the other occurs was particularly well suited to develop a spinodal decomposition process when used as the precursor for the preparation of polymer resins (by polycondensation between R and p-phthalaldehyde).</p>