Microsecond simulations of spontaneous methane hydrate nucleation and growth

Science

Volumn 326, Issue 5956, 2009, Pages 1095-1098

  Walsh, Matthew R ^a   Koh, Carolyn A ^a   Sloan, Dendy E ^a   Sum, Amadeu K ^a   Wu, David T ^a  

^a Department of Geology and Geological Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

METHANE; WATER;

ADSORPTION; GAS HYDRATE; METHANE; NUCLEATION; THERMODYNAMICS;

ADSORPTION; ARTICLE; CRYSTAL STRUCTURE; CRYSTALLIZATION; DISSOCIATION; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; THERMODYNAMICS;

EID: 70450188736     PISSN: 00368075     EISSN: 10959203     Source Type: Journal    
DOI: 10.1126/science.1174010     Document Type: Article

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33. Supported by the NSF Materials Research Science and Engineering Center (NSF-MRSEC award DMR0820518), the U.S. Department of Energy-Basic Energy Sciences (DOE-BES award DE-FG02-05ER46242), and the CSM Hydrate Consortium (which is currently sponsored by BP, Champion Technologies, Chevron, ConocoPhillips, ExxonMobil, Halliburton, Multi-Chem Group, Nalco, Petrobras, Schlumberger, Shell, SPT Group, StatoilHydro, and Total). A.K.S. and D.T.W. were supported by NSF grant CBET-0933856. The simulations were carried out on facilities at the Golden Energy Computing Organization at the Colorado School of Mines, using resources acquired with financial assistance from NSF and the National Renewable Energy Laboratory. All graphics were prepared with VMD (S8). We thank T. Kaiser, M. Robbert, P. Rensing, T. Strobel, P. Prasad, Z. Aman, and L. Zerpa for support in computing efforts, and L. Jacobson, W. Hujo, and V. Molinero for generously sharing their cage recognition code.