%0 Generic %A Polat, Mert %A de Meyer, Frederick %A Houriez, Celine %A van der Geest, Casper %A Moultos, Othonas A. %A Vlugt, Thijs J.H. %D 2023 %T Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study" %U %R 10.4121/fb612f4e-9d6c-407d-a8d3-a12c208a32d2.v1 %K CO2 %K Density %K Viscosity %K Diffusion coefficients %K H2S %K LAMMPS %K Molecular Dynamics %X

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

%I 4TU.ResearchData