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

H.M. Polat (Creator)
T.J.H. Vlugt (Creator)
O. Moultos (Creator)
Frédérick De Meyer (Creator)
Céline Houriez (Creator)
Christophe Coquelet (Creator)

Engineering Thermodynamics

Dataset

Description

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

Date made available	21 Feb 2023
Publisher	TU Delft - 4TU.ResearchData

DOI
10.4121/22015112

1 Article

Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study
Polat, H. M., de Meyer, F., Houriez, C., Coquelet, C., Moultos, O. A. & Vlugt, T. J. H., 2023, In: Fluid Phase Equilibria. 564, 8 p., 113587.
Research output: Contribution to journal › Article › Scientific › peer-review

Open Access
File
7 Citations (Scopus)

163 Downloads (Pure)

Cite this