Sample simulation files for "Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study"

doi:10.4121/22015112.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: 10.4121/22015112
Datacite citation style:
Mert Polat; Vlugt, Thijs; Othonas A Moultos; Frederick de Meyer; Celine Houriez et. al. (2023): Sample simulation files for "Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/22015112.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 mixtures of CO2, monoethanolamine (MEA), and water. 

history
  • 2023-02-21 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 ParisTech;
TotalEnergies S.E.

DATA

files (1)