Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study"

doi:10.4121/fb612f4e-9d6c-407d-a8d3-a12c208a32d2.v1
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/fb612f4e-9d6c-407d-a8d3-a12c208a32d2
Datacite citation style:
Mert Polat; Frederick de Meyer; Celine Houriez; van der Geest, Casper; Othonas A. Moultos et. al. (2023): Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/fb612f4e-9d6c-407d-a8d3-a12c208a32d2.v1
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite
Dataset

This dataset contains sample simulation input files to run Molecular Dynamics simulations of CO2/H2S loaded and unloaded aqueous MDEA solutions.

history
  • 2023-10-16 first online, published, posted
publisher
4TU.ResearchData
format
*.txt,
organizations
TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department of Process and Energy,
Mines Paris, PSL University, Center for Thermodynamics of Processes (CTP), Fontainebleau, France,
CO2 and Sustainability R&D Program, Gas & Low Carbon Entity, OneTech, Total Energies S.E., Paris, France.

DATA

files (1)