Join Dr. Philippe Ungerer in this Month's Webinar.

 

Dr. Philippe Ungerer will demonstrate how to predict thermodynamic properties of organic molecules of complex structure, particularly representative in heavy compounds (C10-C36) of petroleum fluids using Monte Carlo methods, United Atom forcefields and quantum chemistry.

 

This topic has been covered by articles authored by Materials Design scientists in three international scientific journals: J. Chem Eng Data (2014), Fluid Phase Equilibria (2018)  Energy and Fuels (2019), in cooperation with research institutes and Total.