Project Info

Molecular Simulations Studies of Gas Hydrates

Amadeu Sum | asum@mines.edu

Gas hydrates are formed from water and gas typically at conditions of high pressure and low temperature. Gas hydrates have numerous application in energy related areas, including energy storage, water purification, carbon sequestration, and flow assurance of oil and gas. Our fundamental work with gas hydrates using molecular simulations aims to better understand the molecular interactions responsible for the formation, promotion, and inhibition of gas hydrates. In this specific project, the student will perform molecular simulations to gain insight in the inhibition of gas hydrates with electrolytes and organic inhibitors. This work has never been done before and it aims to probe the molecular interactions of water with the inhibitors molecules.

More Information

The following references would be useful background to our studies:
* B. C. Barnes, B. C. Knott, G. T. Beckham, D. T. Wu, and A. K. Sum, “Reaction Coordinate of Incipient Methane Clathrate Hydrate Nucleation,” Journal of Physical Chemistry B, 118 (46), 13236-13243 (2014). [doi: 10.1021/jp507959q]
* M. R. Walsh, C. A. Koh, E. D. Sloan, A. K. Sum, and D. T. Wu, “Microsecond Simulation of Spontaneous Methane Hydrate Nucleation and Growth,” Science, 326 (5956), 1095-1098 (2009). [doi: 10.1126/science.1174010]

Grand Engineering Challenge: Provide access to clean water