Materials Design, Inc. at Petrophase XV

June 14, 2014

Meet two of our key scientists in the field of atomistic fluid simulations at Petrophase XV in Galveston. They will present new and exciting results from applying atomistic modeling to petroleum resins and shale gas; highlighting huge cost efficiency in a field where experiments difficult.

 

As Philippe Ungerer, Director of the fluid group, explains: "Understanding the properties of kerogen is necessary for a better assessment of shale gas, shale oil prospects, and in situ oil shale retorting. Thanks to the availability of well-tested methods, molecular modeling can investigate kerogen properties and optimize the value of costly experimentation."

 

Both talks will illustrate the capabilities of molecular modeling for real world problems.

 

 

Marianna Yiannourakou: Nanoaggregation of Asphaltenes with Resins - Understanding from Molecular Dynamics (Tuesday, June 10th: session 3, O17)

 

Asphaltene precipitation may have large impact on well performance, but little is known about the interactions of asphaltenes with petroleum resins. The purpose of the talk is to outline how molecular modeling can be used to understand this co-aggregation of petroleum asphaltenes and petroleum resins.

 

 

Philippe Ungerer: Molecular modeling of kerogen structure and swelling with liquid solvents (Thursday, June 12th: session 6, O35)

 

Understanding the properties of kerogen is necessary today for a better assessment of shale gas and shale oil prospects. It is also important to understand the physics of in situ oil shale retorting. Thanks to the availability of well-tested methods, molecular modeling can investigate these aspects and optimize the value of costly experimentation. The aim of the proposed talk is to illustrate the capabilities of molecular modeling to predict bulk properties of kerogen –such as swelling with solvents- from a consistent description at the molecular level.

 

Learn more about Petrophase at http://www.petrophase2014.com/

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