XPCS and MD data and codes for supercritical carbon dioxide

Supercritical fluids have a vast scientific and industrial applications owing to their unique thermodynamic and transport properties. Such properties stem from the formation of molecular clusters near critical point of the fluid. While the structure of such clusters and their influence on thermodynamic properties have been studied in detail, the study of cluster dynamics and its role in transport processes is still an open question. The primary challenge in studying cluster dynamics is their ultrafast timescales. To overcome this challenge, we used split-pulse X-ray Photon Correlation Spectroscopy to directly measure the ultrafast cluster dynamics in supercritical carbon dioxide at nanometer length scales. By combining our measurements with large scale molecular dynamics simulations, we discover the unique interaction between unbound molecules and clusters that lead to the observed dynamics. The deposit comprises of data files from experiment and simulations as well as analysis codes used to study the data.