TY - DATA
T1 - Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study"
PY - 2023/10/16
AU - Mert Polat
AU - Frederick de Meyer
AU - Celine Houriez
AU - Casper van der Geest
AU - Othonas
A. Moultos
AU - Thijs J.H. Vlugt
UR - 
DO - 10.4121/fb612f4e-9d6c-407d-a8d3-a12c208a32d2.v1
KW - CO2
KW - Density
KW - Viscosity
KW - Diffusion coefficients
KW - H2S
KW - LAMMPS
KW - Molecular Dynamics
N2 - <p>This dataset contains sample simulation input files to run Molecular Dynamics simulations of CO2/H2S loaded and unloaded aqueous MDEA solutions.</p>
ER -