The doi above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
doi: 10.4121/22211650

W. A. van Rooijen; Parsa Habibi; Poulumi Dey; Vlugt, Thijs; Hajibeygi, Hadi et. al. (2023): Sample simulation files for "Interfacial Tensions, Solubilities, and Transport Properties of the H₂/H₂O/NaCl System: A Molecular Simulation Study". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/22211650.v1

Dataset

• Physical Chemistry (incl. Structural)
• Energy Storage, Distribution and Supply
• Theoretical and Computational Chemistry

Aqueous, Continuous Fractional component Monte Carlo, H2 storage, Molecular dynamics, NaCl, Underground H2 storage

CC0

RefWorks, BibTeX, Reference Manager, Endnote, DataCite, NLM, DC, CFF

by W. A. van Rooijen, Parsa Habibi , Poulumi Dey, Thijs Vlugt , Hadi Hajibeygi , Othonas A Moultos

Sample simulations files used for publication titled  "Interfacial Tensions, Solubilities, and Transport Properties of the H₂/H₂O/NaCl System: A Molecular Simulation Study". Please read the README files in each folder for more information and refer to the main manuscript for more details: https://pubs.acs.org/doi/10.1021/acs.jced.2c00707

• 2023-03-08 first online, published, posted

4TU.ResearchData

Lammps and brick-cfcmc simulation input / output files

Interfacial Tensions, Solubilities, and Transport Properties of the H2/H2O/NaCl System: A Molecular Simulation Study

TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department of Process and Energy, Engineering Thermodynamics;

TU Delft, Faculty of Civil Engineering and Geosciences, Department of Geoscience and Engineering, Reservoir Engineering;

TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department of Materials Science and Engineering