Works by Thijs Vlugt
Results: 34
The Influence of UiO‐66 Metal–Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers.
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- Chemistry - A European Journal, 2022, v. 28, n. 29, p. 1, doi. 10.1002/chem.202200030
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- Article
Mass Transport Limitations in Electrochemical Conversion of CO 2 to Formic Acid at High Pressure.
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- Electrochem, 2022, v. 3, n. 3, p. 549, doi. 10.3390/electrochem3030038
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- Article
Direct Water Injection in Catholyte‐Free Zero‐Gap Carbon Dioxide Electrolyzers.
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- ChemElectroChem, 2020, v. 7, n. 18, p. 3839, doi. 10.1002/celc.202000961
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Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities.
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- Molecular Physics, 2023, v. 121, n. 19/20, p. 1, doi. 10.1080/00268976.2023.2183721
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Thermal conductivity of aqueous solutions of reline, ethaline, and glyceline deep eutectic solvents; a molecular dynamics simulation study.
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- Molecular Physics, 2021, v. 119, n. 19/20, p. 1, doi. 10.1080/00268976.2021.1876263
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On the validity of the Stokes–Einstein relation for various water force fields.
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- Molecular Physics, 2020, v. 118, n. 9/10, p. 1, doi. 10.1080/00268976.2019.1702729
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Kirkwood-Buff integrals of finite systems: shape effects.
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- Molecular Physics, 2018, v. 116, n. 12, p. 1573, doi. 10.1080/00268976.2018.1434908
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Liquid-crystal phase equilibria of Lennard-Jones chains.
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- Molecular Physics, 2016, v. 114, n. 6, p. 895, doi. 10.1080/00268976.2015.1134824
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An equation of state for the isotropic phase of linear, partially flexible and fully flexible tangent hard-sphere chain fluids.
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- Molecular Physics, 2014, v. 112, n. 7, p. 919, doi. 10.1080/00268976.2013.812257
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A direct method for calculating thermodynamic factors for liquid mixtures using the Permuted Widom test particle insertion method.
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- Molecular Physics, 2013, v. 111, n. 2, p. 287, doi. 10.1080/00268976.2012.720386
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Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects.
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- Molecular Physics, 2012, v. 110, n. 11/12, p. 1069, doi. 10.1080/00268976.2011.637524
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Calculating thermodynamic factors of ternary and multicomponent mixtures using the Permuted Widom test particle insertion method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 3, p. 1, doi. 10.1007/s00214-013-1333-0
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Coarse-grained model for gold nanocrystals with an organic capping layer.
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- Molecular Physics, 2007, v. 105, n. 23/24, p. 3177, doi. 10.1080/00268970701802432
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Dynamic pruned-enriched Rosenbluth method.
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- Molecular Physics, 2003, v. 101, n. 11, p. 1675, doi. 10.1080/0026897031000094461
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Measurement of chemical potentials of systems with strong excluded volume interactions by computing the density of states.
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- Molecular Physics, 2002, v. 100, n. 17, p. 2763, doi. 10.1080/00268970210142639
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Recoil growth algorithm for chain molecules with continuous interactions.
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- Molecular Physics, 1999, v. 97, n. 12, p. 1243, doi. 10.1080/002689799162885
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Using molecular dynamics to obtain Maxwell-Stefan diffusion coefficients in liquid systems.
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- Molecular Physics, 1998, v. 94, n. 3, p. 495, doi. 10.1080/002689798168006
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Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials.
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- Advanced Theory & Simulations, 2019, v. 2, n. 11, p. N.PAG, doi. 10.1002/adts.201900135
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- Article
Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 4, p. 771, doi. 10.3390/nano10040771
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- Article
Two-Phase Equilibrium Conditions in Nanopores.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 4, p. 608, doi. 10.3390/nano10040608
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Gibbs Ensemble Monte Carlo Simulation of Fluids in Confinement: Relation between the Differential and Integral Pressures.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 2, p. 293, doi. 10.3390/nano10020293
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Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands.
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- Nature Communications, 2016, v. 7, n. 5, p. 11503, doi. 10.1038/ncomms11503
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Mechanical instability of monocrystalline and polycrystalline methane hydrates.
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- Nature Communications, 2015, v. 6, n. 11, p. 8743, doi. 10.1038/ncomms9743
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Modeling the phase equilibria of asymmetric hydrocarbon mixtures using molecular simulation and equations of state.
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- AIChE Journal, 2019, v. 65, n. 1, p. 792, doi. 10.1002/aic.16453
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Molecular simulation of adsorption of short linear alkanes and their mixtures in silicalite.
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- AIChE Journal, 1998, v. 44, n. 8, p. 1756, doi. 10.1002/aic.690440807
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- Article
Study on hexane adsorption in zeolite ITQ-29 by molecular simulation.
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- Adsorption, 2008, v. 14, n. 6, p. 763, doi. 10.1007/s10450-008-9140-y
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Development of efficient formulation for the removal of iron sulphide scale in sour production wells.
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- Canadian Journal of Chemical Engineering, 2018, v. 96, n. 12, p. 2526, doi. 10.1002/cjce.23241
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Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization.
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- Entropy, 2024, v. 26, n. 12, p. 1120, doi. 10.3390/e26121120
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Characterization and Feasibility Studies on Complete Recovery of Rare Earths from Glass Polishing Waste.
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- Metals (2075-4701), 2019, v. 9, n. 3, p. 278, doi. 10.3390/met9030278
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Recovery of Cerium from Glass Polishing Waste: A Critical Review.
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- Metals (2075-4701), 2018, v. 8, n. 10, p. 801, doi. 10.3390/met8100801
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On the Mechanism Behind the Instability of Isoreticular Metal-Organic Frameworks (IRMOFs) in Humid Environments.
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- Chemistry - A European Journal, 2012, v. 18, n. 39, p. 12260, doi. 10.1002/chem.201201212
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Artificial intelligence and thermodynamics help solving arson cases.
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- Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-77516-x
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- Article
Probing Lipid Coating Dynamics of Quantum Dot Core Micelles via Förster Resonance Energy Transfer.
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- Small, 2014, v. 10, n. 6, p. 1163, doi. 10.1002/smll.201301962
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- Article
Shape Selectivity in Hydrocarbon Conversion.
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- Angewandte Chemie International Edition, 2001, v. 40, n. 4, p. 736, doi. 10.1002/1521-3773(20010216)40:4<736::AID-ANIE7360>3.0.CO;2-T
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