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: 10.4121/55e208e7-32ea-4beb-9234-596086884092

Parsa Habibi; Postma, Julien; Padding, Johan T.; Poulumi Dey; Vlugt, Thijs et. al. (2023): Sample files for "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/55e208e7-32ea-4beb-9234-596086884092.v1

Dataset

• Physical Chemistry (incl. Structural)
• Chemical Engineering
• Engineering
• Chemical Sciences

Aqueous Electrolytes, Continuous Fractional Component Monte Carlo, Sodium metaborate, Solubilities, Transport properties

CC0

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

by Parsa Habibi , Julien Postma, Johan T. Padding, Poulumi Dey, Thijs Vlugt , Othonas A Moultos

Sample simulations input/output files used for the publication titled "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)". Please read the README files for more information and refer to the main manuscript for more details: https://pubs.acs.org/doi/10.1021/acs.iecr.3c01422

• 2023-09-22 first online, published, posted

4TU.ResearchData

LAMMPS and BRICK-CFCMC Input/output files

Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)

TU Delft, Faculty of Mechanical, Maritime and Materials Engineering (3ME), Department of Process & Energy
TU Delft, Faculty of Mechanical, Maritime and Materials Engineering (3ME), Department of Material Science and Engineering