Modeling the interactions between poly(N-vinylpyrrolidone) and gas hydrates: Factors involved in suppressing and accelerating hydrate growth

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 5976 LNCS, Issue , 2010, Pages 117-133

  Wathen, Brent ^a   Kwan, Peter ^a   Jia, Zongchao ^a   Walker, Virginia K ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

Gas hydrates; Monte Carlo simulations; Parallel computing; PVP

Indexed keywords

CRYSTAL GROWTH INHIBITION; CRYSTAL SURFACES; GROWTH ENHANCEMENT; HYDRATE FORMATION; HYDRATE GROWTH; LARGE STRUCTURES; MONTE CARLO; MONTE CARLO SIMULATION; MULTITHREADED; N VINYLPYRROLIDONE; OIL AND GAS INDUSTRY; PARALLEL COMPUTING; POLY-N-VINYLPYRROLIDONE;

COMPUTER SIMULATION; CRYSTAL GROWTH; CRYSTAL STRUCTURE; CRYSTALLIZATION; GAS INDUSTRY; GASES; GRAIN BOUNDARIES; HYDRATION; MONTE CARLO METHODS; PARALLEL ARCHITECTURES; SURVEYS;

GAS HYDRATES;

EID: 77952405339     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-642-12659-8_10     Document Type: Conference Paper

References (22)

1. Kvamme, B., Kuznetsova, T., Aasoldsen, K.: Molecular dynamics simulations for selection of kinetic hydrate inhibitors. J. Mol. Graphics Modelling 23, 524-536 (2005)
2. Sloan Jr., E.D.: Fundamental principles and applications of natural gas hydrates. Nature 426, 353-362 (2003)
3. Gao, S., House, W., Chapman, W.G.: Detecting Gas Hydrate Behavior in Crude Oil Using NMR. J. Phys. Chem. B 110, 6549-6552 (2006)
4. Han, F.X., Lindner, J.S., Wang, C.: Making carbon sequestration a paying proposition. Naturwissenschaften 94, 170-182 (2007)
5. Linga, P., Kumar, R., Englezos, P.: The clathrate hydrate process for post and precombustion capture of carbon dioxide. J. Hazard Mater. 149, 625-629 (2007)
6. Strobel, T.A., Kim, Y., Andrews, G.S., Ferrell III, J.R., Koh, C.A., Herring, A.M., Sloan Jr., E.D.: Chemical-clathrate hybrid hydrogen storage: storage in both guest and host. J. Am. Chem. Soc. 130, 14975-14977 (2008)
7. Sloan Jr., E.D.: Clathrate Hydrates of Natural Gases, 3rd edn. Crc Press Llc, New York (2007)
8. Konstantin, A.U., Lu, H., Enright, G.D., Ratcliffe, C.I., Ripmeester, J.A., Chapman, N.R., Riedel, M., Spence, G.: Single Crystals of Naturally Occurring Gas Hydrates: The Structures of Methane and Mixed Hydrocarbon Hydrates. Angew. Chem. Int. Ed. 46, 8220-8222 (2007)
9. Schicks, J.M., Naumann, R., Erzinger, J., Hester, K.C., Hoh, C.A., Sloan Jr., E.D.: Phase Transitions in Mixed Gas Hydrates: Experimental Observations versus Calculated Data. J. Phys. Chem. B 110, 11468-11474 (2006)
10. Patchkovskii, S., Tsu, J.S.: Thermodynamic stability of hydrogen clathrates. Proc. Natl. Acad. Sci. USA 100, 14645-14650 (2003)
11. Li, J., Liang, D., Guo, K., Wang, R.: The influence of additives and metal rods on the nucleation and growth of gas hydrates. J. Colloid Interface Sci. 283, 223-230 (2005) (Pubitemid 40247588)
12. Koh, C.A.: Towards a fundamental understanding of natural gas hydrates. Chem. Soc. Rev. 31, 157-167 (2002)
13. Anderson, B.J., Tester, J.W., Borghi, G.P., Trout, B.L.: Properties of inhibitors of methane hydrate formation via molecular dynamics simulations. J. Am. Chem. Soc. 127, 17852-17862 (2005)
14. Larsen, R., Knight, C.A., Rider, K.T., Sloan Jr., E.D.: Growth and Inhibition of Ethylene Oxide Clathrate Hydrate. Ann. N.Y. Acad. Sci 912, 441-451 (2006)
15. Kumar, R., Lee, J.D., Song, M., Englezos, P.: Kinetic inhibitor effects on methane/propane clathrate hydrate crystal growth at the gas/water and water/n-heptane interfaces. J. Crystal Growth 310, 1154-1166 (2008)
16. Moon, C., Taylor, P.C., Rodger, P.M.: Molecular Dynamics Study of Gas Hydrate Formation. J. Am. Chem. Soc. 125, 4706-4707 (2003)
17. Alavi, S., Ripmeester, J.A., Klug, D.D.: Molecular-dynamic Simulations of Binary Structure II Hydrogen and Tetrahydrofuran Clathrates. J. Chem. Phys. 124, 14704-14709 (2006)
18. Alavi, S., Ripmeester, J.A., Klug, D.D.: Molecular Dynamics Study of the Stability of Methane Structure H Clathrate Hydrates. J. Chem. Phys. 126, 124708-124713 (2007)
19. Moon, C., Hawtin, R.W., Rodger, P.M.: Nucleation and control of clathrate hydrates: insights from simulation. Faraday Discuss 136, 367-382 (2007)
20. Wathen, B., Kuiper, M., Walker, V.K., Jia, Z.: A New Model for Simulating 3-D Crystal Growth and its Application to the Study of Antifreeze Proteins. J. Am. Chem. Soc. 125, 729-737 (2003)
21. Wathen, B., Kuiper, M., Walker, V.K., Jia, Z.: New Simulation Model of Multicomponent Crystal Growth and Inhibition. Chem. Eur. J. 10, 1598-1605 (2004)
22. Gilmer, G.: Computer Models of Crystal Growth. Science 208, 355-363 (1980)