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

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

Dataset

• Chemical Engineering

CO2, Density, Diffusion coefficients, H2S, LAMMPS, Molecular Dynamics, Transport properties, Viscosity

CC0

• Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"

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

by Mert Polat , Thijs Vlugt , Othonas A Moultos , Frederick de Meyer , Celine Houriez , Christophe Coquelet

This dataset contains sample simulation input files to run Molecular Dynamics simulations of mixtures of CO2, monoethanolamine (MEA), and water. 

• 2023-02-21 first online, published, posted

4TU.ResearchData

txt

Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study

TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department of Process and Energy;
Mines ParisTech;
TotalEnergies S.E.