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Did You Miss the Webinar: Fluid Properties from Molecular Simulation?

Fluid Properties from Molecular Simulation

Applications in Chemical Engineering and the Oil & Gas Industry

Presented by Dr. Marianna Yiannourakou 


Examples from the Chemical and the Oil & Gas industry, ranging from prediction of fluid properties (pure compounds and mixtures) to sorption of fluids in inorganic (zeolites, clay minerals, MOFs) and organic solids(kerogen, polymers), will be used to illustrate the use of atomistic modeling and simulation as a powerful tool for engineers and researchers, through the comprehensive and highly productive environment of MedeA®.



In this free webinar, you will see how the software architecture of MedeA® will: 

  • COMPUTE (with a systematic monitoring of uncertainties) macroscopic properties such as vapor-liquid equilibria, heat capacity, viscosity, compressibility factor, speed of sound, Joule-Thomson coefficient, solubility, permeability and molecular simulations.
  • DEVELOP AND OPTIMIZE your industrial processes or guide experiments 
  • REDUCE the effort and time needed to design processes and materials. 
  • ACQUIRE information on the systems’ behavior at the atomic scale, providing you useful insight for understanding the underlying mechanisms of physicochemical phenomena. 


Publish while: 
2017 Jul 4 - 11 - 2017 Jul 25 - 14

News & Views

Did you miss our most recent webinar? Watch it here and learn how high throughput calculations in the MedeA Environment can accelerate searches in your design spaces

June 24 - 28, 2018. UCLA campus, Los Angeles, California, USA

Benoit Minisini and Alexander Mavromaras will give an invited talk at the 2018 Surfair Congress in Biarritz, France May 20-22, 2018

Curious about the MedeA GUI? Watch the webinar here

Did you miss the webinar? Watch the recording here.

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