Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"

This dataset contains force field files in GROMACS format accompanying the mentioned publication. The topology file is given for one specific composition and can be adapted by changing the number of molecules in the '[ molecules ]' block.
The numerical data of all calculated thermophysical properties is provided in the XML-based IUPAC standard for storage and exchange of thermophysical and thermochemical property data (ThermoML). With the provided Jupyter notebook the data can be visualized and also used for further analysis. We recommend viewing the files by choosing the option "tree".