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Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation
Presented by Dr. Philippe Ungerer
Tue, May 28th: 10 am PDT / 11 am MDT / 12 pm CDT /1 pm EDT USA / 7 pm Europe (CEST)
Wed, May 29th: 7 am PDT / 4 pm Europe (CEST)
Thu, May 30th: 8 am Europe (CEST) / 11:30 am India (IST) / 2 pm China (CST) / 3 pm Japan (JST)
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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.