Thermal Properties of Gas Hydrates
Concept
Under appropriate pressure and temperature conditions, methane (natural gas) combines with water to make a solid known as methane hydrate, in which the methane molecules are trapped in water cages. Most of the natural gas on Earth is in the form of methane hydrates. For understanding the stability of hydrates and for designing strategies for extraction of methane from the hydrate, the thermal conductivity is a key quantity.
Application
We are using computer simulations to develop a detailed understanding of how the thermal conductivity and other properties of methane hydrate are affected by defects as well as by mineral interfaces. The major benefits are:
- to understand the anomalous thermal behavior of methane hydrate and other hydrates; and
- to understand the role of mineral surfaces in the formation and reformation of methane hydrate.
Technical Approach
To calculate the properties of methane hydrate, we are using molecular dynamics simulations. The program will:
- develop a detailed understanding of the factors that control the thermal properties of hydrates, and
- provide vital information for designing efficient strategies for natural-gas recovery from methane-hydrate deposits.
Collaborations
Research Team
Dr. Hao Jiang
Collaborators
Dr. Eugene Myshakin (National Energy Technology Laboratory)
Dr. Robert Warzinski (National Energy Technology Laboratory)
Government Support
National Energy Technology Laboratory
U.S. Department of Energy
Contact
Kenneth D. Jordan
Distinguished Professor of Computational Chemistry
Director Center for Molecular and Materials Simulations
National Energy Technology Laboratory Faculty Fellow
University of Pittsburgh
Department of Chemistry
330 Eberly Hall
412-624-8690
jordan@pitt.edu