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

(Creator)
Frédérick De Meyer (Creator)
Céline Houriez (Creator)
Casper van der Geest (Creator)
O. Moultos (Creator)
T.J.H. Vlugt (Creator)

Engineering Thermodynamics

Dataset

Description

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

Date made available	16 Oct 2023
Publisher	TU Delft - 4TU.ResearchData

DOI
10.4121/FB612F4E-9D6C-407D-A8D3-A12C208A32D2

Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO₂/H₂S/MDEA mixtures: A molecular dynamics simulation study
Polat, H. M., van der Geest, C., de Meyer, F., Houriez, C., Vlugt, T. J. H. & Moultos, O. A., 2023, In: Fluid Phase Equilibria. 575, 12 p., 113913.
Research output: Contribution to journal › Article › Scientific › peer-review

Open Access
File
8 Link opens in a new tab Citations (Scopus)

197 Downloads (Pure)

Cite this

DataSetCite

Creator), De Meyer, F. (Creator), Houriez, C. (Creator), van der Geest, C. (Creator), Moultos, O. (Creator), Vlugt, T. J. H. (Creator) (16 Oct 2023). Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study". TU Delft - 4TU.ResearchData. 10.4121/FB612F4E-9D6C-407D-A8D3-A12C208A32D2

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

Description

DOI

Research output

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

Cite this

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