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Khakharia, P.M. (author), Mertens, J. (author), Vlugt, T.J.H. (author), Goetheer, E. (author)Industrial scale implementation of post combustion CO2 capture (PCCC) can be hindered by solvent emissions due to its impact on the environment and the operating costs. The issue of aerosol based emissions has only been recently reported for a PCCC process and very little fundamental knowledge is available in the scientific community on this...journal article 2014
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- Fan, Z. (author), Koster, R.S. (author), Wang, S. (author), Fang, C. (author), Yalcin, A.O. (author), Tichelaar, F.D. (author), Zandbergen, H.W. (author), Van Huis, M.A. (author), Vlugt, T.J.H. (author) journal article 2014
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Kwakkel, G. (author), Meskers, C.G.M. (author), Van Wegen, E.E. (author), Lankhorst, G.J. (author), Geurts, A.C.H. (author), Van Kuijk, A.A. (author), Lindeman, E. (author), Visser-Meily, A. (author), Vlugt, E. (author), Arendzen, J.H. (author)Main claims of the literature are that functional recovery of the paretic upper limb is mainly defined within the first month post stroke and that rehabilitation services should preferably be applied intensively and in a task-oriented way within this particular time window. EXplaining PLastICITy after stroke (acronym EXPLICIT-stroke) aims to...journal article 2008
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Van Westen, T. (author), Oyarzun Rivera, B.A. (author), Vlugt, T.J.H. (author), Gross, J. (author)We develop an equation of state (EoS) for describing isotropic-nematic (IN) phase equilibria of Lennard-Jones (LJ) chain fluids. The EoS is developed by applying a second order Barker-Henderson perturbation theory to a reference fluid of hard chain molecules. The chain molecules consist of tangentially bonded spherical segments and are allowed...journal article 2015
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Yalcin, A.O. (author), Goris, B. (author), Van Dijk-Moes, R.J.A. (author), Fan, Z. (author), Erdamar, A.K. (author), Tichelaar, F.D. (author), Vlugt, T.J.H. (author), Van Tendeloo, G. (author), Bals, S. (author), Vanmaekelbergh, D. (author), Zandbergen, H.W. (author), Van Huis, M.A. (author)In this work, we investigate the thermal evolution of CdSe–CdS–ZnS core–multishell quantum dots (QDs) in situ using transmission electron microscopy (TEM). Starting at a temperature of approximately 250 °C, Zn diffusion into inner layers takes place together with simultaneous evaporation of particularly Cd and S. As a result of this...journal article 2014
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Sanchez-Fernandez, E. (author), Heffernan, K. (author), Van der Ham, L. (author), Linders, M.J.G. (author), Goetheer, E. (author), Vlugt, T.J.H. (author)Post-combustion CO2 capture based on absorption and thermal desorption is considered a suitable technology for carbon abatement in fossil fuelled power plants. The economic viability of post-combustion capture has been widely studied. The major drawbacks of this technology are the efficiency penalties and high operating cost related to solvent...journal article 2014
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Jamali, S.H. (author), de Groen, M. (author), Moultos, O. (author), Hartkamp, Remco (author), Vlugt, T.J.H. (author), Ubachs, Wim (author), van de Water, W. (author)Rayleigh-Brillouin light scattering spectra of CO2 at ultraviolet wavelengths are computed from molecular dynamics which depends on intermolecular potentials only. We find excellent agreement with state of the art experimental data. This agreement was reached in a minimal computational box with sides one scattering wavelength long and...journal article 2019
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Fang, B. (author), Moultos, O. (author), Lü, Tao (author), Sun, Jiaxin (author), Liu, Z. (author), Ning, Fulong (author), Vlugt, T.J.H. (author)Hydrate dissociation is often accompanied by the formation of nanobubbles. Knowledge of the effects of nanobubbles on hydrate dissociation is essential for understanding the dynamic behavior of the hydrate phase change and improving the gas production efficiency. Here, molecular dynamics simulations were performed to study the methane hydrate...journal article 2023
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Caro Ortiz, S.A. (author), Zuidema, Erik (author), Rigutto, Marcello (author), Dubbeldam, D. (author), Vlugt, T.J.H. (author)The separation of xylenes is one of the most important processes in the petrochemical industry. In this article, the competitive adsorption from a fluid-phase mixture of xylenes in zeolites is studied. Adsorption from both vapor and liquid phases is considered. Computations of adsorption of pure xylenes and a mixture of xylenes at chemical...journal article 2021
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Wang, M. (author), Becker, T. (author), Schouten, Bob (author), Vlugt, T.J.H. (author), Infante Ferreira, C.A. (author)To use high-temperature waste heat generated by diesel engines for onboard refrigeration of fishing vessels, an ammonia-based double-effect vapor absorption refrigeration cycle is proposed. Non-volatile ionic liquids are applied as absorbents in the double-effect absorption system. In comparison to systems using ammonia/water fluid, the...journal article 2018
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Sharma, S. (author), Rigutto, Marcello S. (author), Baur, Richard (author), Agarwal, Umang (author), Zuidema, Erik (author), Balestra, Salvador R.G. (author), Calero, Sofia (author), Dubbeldam, David (author), Vlugt, T.J.H. (author)Ideal Adsorbed Solution Theory (IAST) is a common method for modelling mixture adsorption isotherms based on pure component isotherms. When the adsorbent has distinct adsorption sites, the segregated version of IAST (SIAST) provides improved adsorbed loadings compared to IAST. We have adopted the concept of SIAST and applied it to an explicit...journal article 2023
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Ramdin, M. (author), Morrison, A.R.T. (author), de Groen, M. (author), van Haperen, M.C.H. (author), De Kler, Robert (author), Irtem, Erdem (author), Laitinen, Antero T. (author), van den Broeke, L.J.P. (author), Breugelmans, Tom (author), Trusler, J. P.Martin (author), de Jong, W. (author), Vlugt, T.J.H. (author)We use a high-pressure semicontinuous batch electrochemical reactor with a tin-based cathode to demonstrate that it is possible to efficiently convert CO<sub>2</sub> to formic acid (FA) in low-pH (i.e., pH < pK<sub>a</sub>) electrolyte solutions. The effects of CO<sub>2</sub> pressure (up to 50 bar), bipolar membranes, and electrolyte (K...journal article 2019
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Erdös, M. (author), Frangou, Michalis (author), Vlugt, T.J.H. (author), Moultos, O. (author)Cyclodextrins (CDs) are widely used in drug delivery, catalysis, food and separation processes. In this work, a comprehensive simulation study on the diffusion of the native α-, β- and γ-CDs in aqueous solutions is carried out using Molecular Dynamics simulations. The effect of the system size on the computed self-diffusivity is investigated...journal article 2021
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Korver, Sander (author), Schouten, Eva (author), Moultos, O. (author), Vergeer, Peter (author), Grutters, Michiel M.P. (author), Peschier, Leo J.C. (author), Vlugt, T.J.H. (author), Ramdin, M. (author)In arson cases, evidence such as DNA or fingerprints is often destroyed. One of the most important evidence modalities left is relating fire accelerants to a suspect. When gasoline is used as accelerant, the aim is to find a strong indication that a gasoline sample from a fire scene is related to a sample of a suspect. Gasoline samples from a...journal article 2020
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Sławek, A. (author), Roztocki, Kornel (author), Majda, Dorota (author), Jaskaniec, Sonia (author), Vlugt, T.J.H. (author), Makowski, Wacław (author)Due to its exceptional chemical and thermal stability, ZIF-8 is one of the most promising representatives of nanoporous metal-organic frameworks. In this work, we investigate adsorption properties of this material both experimentally and theoretically. The experiments were carried out on 8 preparations differing in morphology of the crystals....journal article 2021
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Oenema, Jogchum (author), Harmel, Justine (author), Vélez, Roxana Pérez (author), Meijerink, Mark J. (author), Eijsvogel, Willem (author), Poursaeidesfahani, A. (author), Vlugt, T.J.H. (author), Zečević, Jovana (author), De Jong, Krijn P. (author)In this study, Pt nanoparticles on zeolite/γ-Al2O3 composites (50/50 wt) were located either in the zeolite or on the γ-Al2O3 binder, hereby varying the average distance (intimacy) between zeolite acid sites and metal sites from "closest"to "nanoscale". The catalytic performance of these catalysts was compared to physical mixtures of zeolite...journal article 2020
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Dawass, N. (author), Wanderley, Ricardo R. (author), Ramdin, M. (author), Moultos, O. (author), Knuutila, Hanna K. (author), Vlugt, T.J.H. (author)Knowledge on the solubility of gases, especially carbon dioxide (CO2), in monoethylene glycol (MEG) is relevant for a number of industrial applications such as separation processes and gas hydrate prevention. In this study, the solubility of CO2 in MEG was measured experimentally at temperatures of 333.15, 353.15, and 373.15 K. Experimental...journal article 2020
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Heijmans, K. (author), Tranca, Ionut C. (author), Chang, Ming Wen (author), Vlugt, T.J.H. (author), Gaastra-Nedea, Silvia V. (author), Smeulders, David M.J. (author)Thermochemical heat-storage applications, based on the reversible endo-/exothermic hydration reaction of salts, are intensively investigated to search for compact heat-storage devices. To achieve a truly valuable storage system, progressively complex salts are investigated. For these salts, the equilibrium temperature and pressure conditions...journal article 2021
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Ramdin, M. (author), De Mot, Bert (author), Morrison, A.R.T. (author), Breugelmans, Tom (author), van den Broeke, L.J.P. (author), Kortlever, R. (author), de Jong, W. (author), Moultos, O. (author), Vlugt, T.J.H. (author)Direct electrochemical reduction of CO2 to C2 products such as ethylene is more efficient in alkaline media, but it suffers from parasitic loss of reactants due to (bi)carbonate formation. A two-step process where the CO2 is first electrochemically reduced to CO and subsequently converted to desired C2 products has the potential to overcome...journal article 2021
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Sinha, V. (author), Sun, D. (author), Meijer, E. J. (author), Vlugt, T.J.H. (author), Bieberle-Hutter, A. (author)Photoelectrochemical (PEC) splitting of water to make hydrogen is a promising clean-energy technology. The oxygen evolution reaction (OER) largely determines the energy efficiency in PEC water-splitting. Hematite, which is a cheap and sustainable semiconductor material with excellent chemical properties, a favourable band gap (2.1 eV) and...journal article 2021