Molecular modeling of hydrate-clathrates via ab initio, cell potential, and dynamic methods

• Main Author: Anderson, Brian, Ph. D. Massachusetts Institute of Technology
• Other Authors: Jefferson Tester and Bernhardt Trout., Massachusetts Institute of Technology. Dept. of Chemical Engineering.
• Format: Thesis
• Language: English
• Published: Massachusetts Institute of Technology 2005
• Subjects: Chemical Engineering; Langmuir; Methane hydrate
• Online Access: http://hdl.handle.net/1721.1/33704; http://dspace.mit.edu/handle/1721.1/33704

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 2005. Includes bibliographical references. High level ab initio quantum mechanical calculations were used to determine the intermolecular potential energy surface between argon and water, corrected for many- body...