Datasets
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Kirkwood–Buff integrals of finite systems: geometric functions w(x)
Vlugt, T. J. H. (Creator), Dawass, N. (Creator), Krüger, P. (Contributor) & Simon, J. M. (Contributor), TU Delft - 4TU.ResearchData, 8 Mar 2018
DOI: 10.4121/UUID:9C897EF2-9DE0-433A-BDC4-ECABBC340D5B
Dataset/Software: Dataset
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Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble
Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 21 Apr 2016
DOI: 10.4121/UUID:14E501BC-2408-41BC-90D5-5F4588604849
Dataset/Software: Dataset
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Input data supporting: Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
Vlugt, T. J. H. (Creator), Fan, Z. (Creator), van Huis, M. (Creator), Lin, L. (Creator) & Buijs, W. J. (Creator), TU Delft - 4TU.ResearchData, 20 Apr 2016
DOI: 10.4121/UUID:7100A209-2407-42EA-B6E0-DCA5E821FC8D
Dataset/Software: Dataset
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Software from the book: Introduction to Molecular Simulation and Statistical Thermodynamics
Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 2 Mar 2016
DOI: 10.4121/UUID:3B3B95C3-949B-4F37-BE16-48E9F8CC2523
Dataset/Software: Dataset
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Data underlying the publication: Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement
Polat, H. M. (Creator), Moultos, O. (Creator) & Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 28 Mar 2024
DOI: 10.4121/f7b504ab-b5da-4603-9619-ec77b9c46a54, https://doi.org/10.1021/acs.jced.3c00778
Dataset/Software: Dataset
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Raw data for the dissertation "Reader-friendly Edible Binarycodes and Sensors Based on Smart Hydrogel"
Zhang, M. (Creator), TU Delft - 4TU.ResearchData, 1 Nov 2023
DOI: 10.4121/b9f35ef9-28d6-43de-b5d1-a2969aa4f965
Dataset/Software: Dataset
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Sample simulation files for "Hydrogen Dissociation in Li-Decorated 2D Boron-Hydride and Borophene: An Ab-Initio Study"
Habibi, P. (Creator), Vlugt, T. J. H. (Creator), Moultos, O. (Creator) & Dey, P. (Creator), TU Delft - 4TU.ResearchData, 22 Mar 2022
DOI: 10.4121/19391960
Dataset/Software: Dataset
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Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study"
Polat, H. M. (Creator), De Meyer, F. (Creator), Houriez, C. (Creator), van der Geest, C. (Creator), Moultos, O. (Creator) & Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 16 Oct 2023
DOI: 10.4121/FB612F4E-9D6C-407D-A8D3-A12C208A32D2
Dataset/Software: Dataset
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Sample files for "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)"
Habibi, P. (Creator), Postma, J. R. T. (Creator), Padding, J. T. (Creator), Dey, P. (Creator), Vlugt, T. J. H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 22 Sept 2023
DOI: 10.4121/55E208E7-32EA-4BEB-9234-596086884092
Dataset/Software: Dataset
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Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves'
Polat, H. M. (Creator), Vlugt, T. J. H. (Creator), Moultos, O. (Creator), Seyed Salehi, H. (Creator), Hens, R. (Creator), Rahbari, A. (Creator), Wasik, D. O. (Creator), De Meyer, F. (Creator), Houriez, C. (Creator), Coquelet, C. (Creator), Calero, S. (Creator) & Dubbeldam, D. (Creator), TU Delft - 4TU.ResearchData, 12 May 2022
DOI: 10.4121/19738834
Dataset/Software: Dataset
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Simulation input files and datasets for the article: "RUPTURA: Simulation Code for Breakthrough, Ideal Adsorption Solution Theory Computations, and Fitting of Isotherm Models"
Sharma, S. (Creator), Balestra, S. R. G. (Creator), Vlugt, T. J. H. (Creator), Baur, R. (Creator), Agarwal, U. (Creator), Zuidema, E. (Creator), Rigutto, M. (Creator), Calero, S. (Creator) & Dubbeldam, D. (Creator), TU Delft - 4TU.ResearchData, 14 Apr 2023
DOI: 10.4121/4943DC0F-D908-4215-89CE-B9A6163930D2
Dataset/Software: Dataset
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Data companion to: Hydrodynamics of Expanded Bed Adsorption studied through CFD-DEM
Nijssen, T. M. J. (Creator), Padding, J. T. (Creator) & Ottens, M. (Creator), TU Delft - 4TU.ResearchData, 14 Jul 2023
DOI: 10.4121/EBAF0DC5-D8D2-4EB7-8F28-21F7F9B2335C
Dataset/Software: Dataset
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Videos - Fluidisation of calcite-pellets 0.8-0.9mm and 1.4-1.7 mm in water for various flow rates
Kramer, O. (Creator), van Schaik, C. (Creator) & Nijssen, T. M. J. (Creator), TU Delft - 4TU.ResearchData, 24 Nov 2020
DOI: 10.4121/13277246
Dataset/Software: Dataset
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Data underlying the paper "Is bigger always better? Designing economically feasible ocean thermal energy conversion systems using spatio-temporal resource data"
Langer, J. K. A. (Creator), Quist, J. N. (Creator) & Infante Ferreira, C. A. (Creator), TU Delft - 4TU.ResearchData, 31 Aug 2021
DOI: 10.4121/16438386
Dataset/Software: Dataset
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Sample simulation files for "Interfacial Tensions, Solubilities, and Transport Properties of the H₂/H₂O/NaCl System: A Molecular Simulation Study"
van Rooijen, W. A. (Creator), Habibi, P. (Creator), Dey, P. (Creator), Vlugt, T. J. H. (Creator), Hajibeygi, H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 8 Mar 2023
DOI: 10.4121/22211650
Dataset/Software: Dataset
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Sample simulation input file and data sets for the article: "Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities."
Sharma, S. (Creator), Rigutto, M. (Creator), Baur, R. (Creator), Agarwal, U. (Creator), Zuidema, E. (Creator), Balestra, S. R. G. (Creator), Calero, S. (Creator), Dubbeldam, D. (Creator) & Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 14 Apr 2023
DOI: 10.4121/9F0AEC2F-8905-42AE-945D-32FBF4262969
Dataset/Software: Dataset
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Sample simulation files underlying the publication: Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property
Blazquez, S. (Creator), Abascal, J. L. F. (Creator), Lagerweij, J. (Creator), Habibi, P. (Creator), Dey, P. (Creator), Vlugt, T. J. H. (Creator), Moultos, O. (Creator) & Vega, C. (Creator), TU Delft - 4TU.ResearchData, 24 Aug 2023
DOI: 10.4121/B9260A5E-8A11-4EFD-822A-E244E0F7798B
Dataset/Software: Dataset
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Sample simulation files for "Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study"
Polat, H. M. (Creator), Vlugt, T. J. H. (Creator), Moultos, O. (Creator), De Meyer, F. (Creator), Houriez, C. (Creator) & Coquelet, C. (Creator), TU Delft - 4TU.ResearchData, 21 Feb 2023
DOI: 10.4121/22015112
Dataset/Software: Dataset
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Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide"
Habibi, P. (Creator), Vlugt, T. J. H. (Creator), Dey, P. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 22 Mar 2022
DOI: 10.4121/19391945
Dataset/Software: Dataset
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Videos – CFD-DEM simulations: fluidisation of calcite-pellets in water
Kramer, O. (Creator) & Nijssen, T. M. J. (Creator), TU Delft - 4TU.ResearchData, 29 Jan 2021
DOI: 10.4121/13663619
Dataset/Software: Dataset
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Supplementary data for the dissertation "Reader-friendly Edible Binarycodes and Sensors Based on Smart Hydrogel"
Zhang, M. (Creator), TU Delft - 4TU.ResearchData, 26 Oct 2023
DOI: 10.4121/034d2f54-cbb5-4fcc-a60d-187e8c92d133
Dataset/Software: Dataset
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Sample simulation files for: "Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software"
Polat, H. M. (Creator), De Meyer, F. (Creator), Houriez, C. (Creator), Moultos, O. (Creator) & Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 17 Aug 2023
DOI: 10.4121/F30869D9-1300-4DAE-AED8-DA8992DA6976
Dataset/Software: Dataset
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Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"
Polat, H. M. (Creator), Vlugt, T. J. H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 28 Mar 2024
DOI: 10.4121/ab2f1796-9f8c-4180-aa22-22562ae4827e
Dataset/Software: Dataset
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Data underlying the publication: Experiments on floating bed rotating drums using magnetic particle tracking
Nijssen, T. M. J. (Creator), van Dijk, M. A. H. (Contributor), Kuipers, J. A. M. (Contributor), van der Stel, J. (Contributor), Adema, A. T. (Contributor) & Buist, K. A. (Contributor), TU Delft - 4TU.ResearchData, 17 Feb 2021
DOI: 10.4121/13721104
Dataset/Software: Dataset
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Monte Carlo Simulation Code to Perform Simulations in the combined Reaction and Gibbs Ensemble
Polat, H. M. (Creator), Vlugt, T. J. H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 22 Nov 2023
DOI: 10.4121/a3ecbf66-624a-4dde-ae50-de951bc2a069
Dataset/Software: Dataset