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: 10.4121/79ef09f1-b5c4-45ff-8bc7-648426be6e7b

Parsa Habibi; Poulumi Dey; Vlugt, Thijs; Othonas A. Moultos (2024): Sample simulation files for "Effect of dissolved KOH and NaCl on the solubility of water in hydrogen: A Monte Carlo simulation study". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/79ef09f1-b5c4-45ff-8bc7-648426be6e7b.v1

Dataset

• Physical Chemistry (incl. Structural)
• Theoretical and Computational Chemistry
• Chemical Engineering
• Engineering
• Chemical Sciences

Aqueous electrolyte solutions, Computational Chemical Physics, Engineering, Hydrogen, Monte Carlo

CC0

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

by Parsa Habibi , Poulumi Dey , Thijs Vlugt , Othonas A. Moultos

Sample simulations input/output files used for the publication titled "Effect of dissolved KOH and NaCl on the solubility of water in hydrogen: A Monte Carlo simulation study". Please read the README files for more details and refer to the main manuscript for more details: https://pubs.aip.org/aip/jcp/article/161/5/054304/3305718/Effect-of-dissolved-KOH-and-NaCl-on-the-solubility

• 2024-08-08 first online, published, posted

4TU.ResearchData

BRICK-CFCMC simulation input files (zipped file)

Effect of dissolved KOH and NaCl on the solubility of water in hydrogen: A Monte Carlo simulation study

TU Delft, Faculty of Mechanical Engineering, Department Process & Energy, Engineering Thermodynamics
TU Delft, Faculty of Mechanical Engineering, Department of Materials Science and Engineering