2017 Student Research Conference:
30th Annual Student Research Conference

Computational Simulations of Asphaltenes in the Solvent Heptane


Ari Vera
Dr. Bill R. Miller, Faculty Mentor

Asphaltenes are aromatic hydrocarbons that negatively impact the oil industry. These compounds have decreased the efficiency of oil production due to their tendency to clog pipes, which occurs because of a process known as asphaltene aggregation. Asphaltenes form nano-aggregates, which group together to form larger clusters that mix with the waxes found in oil, and result in decreased fluid flow or clogged pipes. The aim of this project is to investigate the effect that heptane has on asphaltene aggregation to aid in the process of finding a solvent that will inhibit aggregation. The simulations are being performed on an NSF-funded supercomputer, and visualized using the program Visual Molecular Dynamics (VMD).  The results were further analyzed to fully characterized the aggregation process. 

Keywords: Chemistry , Computational Chemistry , Asphaltenes, Asphaltene Aggregation

Topic(s):Chemistry
Computer Science

Presentation Type: Oral Paper

Session: 203-3
Location: MG 1096
Time: 10:00

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