Molecular dynamics of simulation of the nucleation, growth, inhibition, and control of gas hydrates. Annual report, April 1991-March 1992

Technical Report · Fri May 01 00:00:00 EDT 1992

OSTI ID:7151991

Clancy, P

This is the first annual report for the Gas Research Institute-funded contract (number 5091-860-2125) entitled 'Molecular Dynamics of Gas Hydrate Nucleation, Growth, Inhibition and Control', covering the period 4/1/91-4/1/92. There were two main objectives of the research performed in 1991/1992: First, it was important to characterize the thermodynamic, structural and kinetic behavior of a computer-simulated hydrate to ensure that the predictions of the simulations were likely to be an accurate representation of the behavior of the real physical system. Second, the authors performed an investigation of the kinetics of crystal growth and dissolution in order to develop appropriate methods for extracting kinetic data from the raw simulation data. The research has led to the production of a considerable body of previously unknown information about the behavior of hydrate-forming mixtures and has provided atomic-scale mechanistic explanations for the origin of a number of experimentally-verified observations about hydrate formation, for example, in explaining why hydrate forming occurs more readily at a liquid/vapor interface than under any other conditions.

• Research Organization: Cornell Univ., Ithaca, NY (United States). School of Chemical Engineering
• OSTI ID: 7151991
• Report Number(s): PB-92-235720/XAB; CNN: GRI-5091-260-2125
• Resource Relation: Other Information: Color illustrations reproduced in black and white. Sponsored by Gas Research Inst., Chicago, IL
• Country of Publication: United States
• Language: English

Related Subjects

03 NATURAL GAS
GAS HYDRATES
THERMODYNAMIC PROPERTIES
COMPUTERIZED SIMULATION
CRYSTAL GROWTH
DISSOLUTION
INTERFACES
MIXTURES
NATURAL GAS
NUCLEATION
ORIGIN
STATISTICAL MECHANICS
DISPERSIONS
ENERGY SOURCES
FLUIDS
FOSSIL FUELS
FUEL GAS
FUELS
GAS FUELS
GASES
HYDRATES
MECHANICS
PHYSICAL PROPERTIES
SIMULATION
033000* - Natural Gas- Properties & Composition