Kinetics of CH4 and CO2 hydrate dissociation and gas bubble evolution via MD simulation

Journal of Physical Chemistry A

Volumn 118, Issue 11, 2014, Pages 1971-1988

  Uddin, M ^a   Coombe, D ^b  

^a ALBERTA INNOVATES TECHNOLOGY FUTURES   (Canada)

^b University of Calgary and Computer Modelling Group Ltd   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION PRESSURE; GAS BUBBLE FORMATION; INTRINSIC RATE CONSTANT; KINETIC REACTION MODELS; MACROSCOPIC CONSEQUENCES; MEAN SQUARE DISPLACEMENT; MOLECULAR DYNAMICS SIMULATIONS; RADIAL DISTRIBUTION FUNCTIONS;

ACTIVATION ENERGY; BUBBLES (IN FLUIDS); DISSOCIATION; GAS HYDRATES; HYDRATION; HYDROGEN BONDS; KINETICS; MOLECULAR DYNAMICS; MOLECULES; RATE CONSTANTS;

CARBON DIOXIDE;

EID: 84897893872     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp410789j     Document Type: Article

References (32)

1. Dallimore, S. R., Collett, T. S., and Uchida, T. In Scientific results from JAPEX/JNOG/GSC Mallik 2L-38 gas hydrate research well, Mackenzie Delta, Northwest Territories, Canada; Dallimore, S. R., Uchida, T., and Collett, T. S., Eds.; Geological Survey of Canada, Bulletin 544, 1999.
2. Dallimore, S. R. and Collett, T. S. In Scientific results from the Mallik 2002 gas hydrate production research well program, Mackenzie Delta, Northwest Territories, Canada; Dallimore, S. R., and Collett, T. S., Eds.; Geological Survey of Canada, Bulletin 585, 2005.
3. Dallimore, S. R., Yamamoto, K., Wright, J. F., and Bellefleur, G. In Scientific results from JOGMEC/NRCan/Aurora Mallik 2007-2008 gas hydrate production research well program, Mackenzie Delta, Northwest Territories, Canada; Dallimore, S. R., Yamamoto, K., Wright, J. F., and Bellefleur, G., Eds.; Geological Survey of Canada, Bulletin 601, 2012.
4. Uddin, M., Wright, F., Dallimore, S. R., and Coombe, D. Gas hydrate production from the Mallik reservoir: numerical history matching and long-term production forecasting, In Scientific results from JOGMEC/NRCan/Aurora Mallik 2007-2008 gas hydrate production research well program, Mackenzie Delta, Northwest Territories, Canada; Dallimore, S. R., Yamamoto, K., Wright, J. F., and Bellefleur, G., Eds.; Geological Survey of Canada, Bulletin 601, 2012, p 261-289.
5. Uddin, M., Wright, F., Dallimore, S. R., and Coombe, D. Gas hydrate dissociations in Mallik hydrate bearing zones A, B, C by depressurization: effect of salinity and hydration number in hydrate dissociation. J. Pet. Sci. Eng. 2013, submitted for publication
6. Uddin, M., Wright, F., Dallimore, S. R., and Coombe, D. Seismic correlated Mallik 3D gas hydrate distribution: effect of geomechanics in non-homogeneous hydrate dissociation by depressurization. J. Pet. Sci. Eng. 2013, submitted for publication
7. Kim, H. C.; Bishnoi, P. R.; Heidemann, R. A.; Rizvi, S. S. H. Kinetics of methane hydrate decomposition Chem. Eng. Sci. 1987, 42 (No. 7) 1645-1653
8. Ripmeester, J. A.; Alireza, S.; Hosseini, B.; Englezos, P.; Alavi, S. Fundamentals of methane hydrate decomposition. CSUG/SPE 138112, presented at the Canadian Unconventional Resources and International Petroleum Conference, October 19-21, 2010, Calgary, AB, Canada.
9. Clarke, M. A.; Bishnoi, P. R. Determination of the activation energy and intrinsic rate constant of methane gas hydrate decomposition Can. J. Chem. Eng. 2001, 79, 143-147
10. Clarke, M. A.; Bishnoi, P. R. Determination of the intrinsic rate constant and activation energy of CO2 gas hydrate decomposition using in-situ particle size analysis Chem. Eng. Sc. 2004, 59, 2983-2993
11. Clarke, M. A.; Bishnoi, P. R. Measuring and modelling the rate of decomposition of gas hydraes formed from mixtures of methane and ethane Chem. Eng. Sc. 2001, 56, 4715-4724
12. Adisasmito, S.; Frank, R. J.; Sloan, E. D. Hydrates of carbon dioxide and methane mixtures J. Chem. Eng. Data 1991, 36, 68-71
13. Yoon, J.-H; Chun, M.-K.; Lee, H. Generalized model for predicting phase behavior of clathrate hydrate AIChE J. 2002, 48 (no. 6) 1317-1330
14. 2 in water from -1.5 to 100 C and from 0.1 to 100 MPa: evaluation of literature data and thermodynamic modelling Fluid Phase Equilib. 2003, 208, 265-290
15. Lu, H.; Seo, Y.; Lee, J.; Moudrakovski, I.; Ripmeester, J.; Chapman, N.; Coffin, R.; Gardner, G.; Poulman, J. Complex gas hydrate from the Cascadia margin Nature 2007, 445, 303-306
16. Palin, D. E.; Powell, H. M. Nature 1945, 156, 334
17. J. Chem. Soc. (London) 1947, 208.
18. 1948, 571.
19. van der Waals, J. H.; Platteeuw, J. C. Clathrate solutions Adv. Chem. Phys. 2007, 10.1002/9780470143483.ch1
20. English, N. J.; Phelan, G. M. Molecular dynamics study of thermal-driven methane hydrate dissociation J. Chem. Phys. 2009, 131, 074704
21. Sloan, E. D. Physical/chemical properties of gas hydrates and application to world margin stability and climate change. In Gas Hydrate: Relevance to World Margin Stability and Climate Change; Henriet, J.-P.; Mienert, J., Eds.; Geological Society: London 1998; Vol. 137, pp 31-50, Special Publications.
22. Conde, M. M.; Vega, C. Determining the three-phase coexistence line in methane hydrates using computer simulations J. Chem. Phys. 2010, 133, 064507
23. Matsumoto, M.; Saito, S.; Ohmine, I. Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing Nature 2002, 416, 409-413
24. Maharajh, D. M.; Warzinski, J. The Temperature Dependence of the Diffusion Coefficients of Ar, CO2, CH4, CH3Cl, CH3Br, and CHCl2F in Water Can. J. Chem. 1973, 51, 944-952
25. Zeebe, R. E. On the molecular diffusion coefficients of dissolved CO2, HCO3-, and CO3-2 and their dependence on isotopic mass Geochim. Cosmochim. Acta 2011, 75, 2483-2498
26. Horvat, K.; Kerkar, P.; Jones, J.; Mahajan, D. Kinetics of the formation and dissociation of gas hydrates from CO2-CH4 mixtures Energies 2012, 5, 2248-2262
27. Makogon, Y. F. Hydrates of natural gas, W. J. Cieslewicz Translation; Pennwell: Tulsa, OK, 1981.
28. Myshakin, E. M.; Jiang, H.; Warzinski, R. P.; Jordan, K. D. Molecular dynamics simulations of methane hydrate decomposition J. Phys. Chem. A 2009, 113, 1913-1921
29. Sarupria, S.; Debenedeth, P. G. Molecular dynamics study of carbon dioxide hydrate dissociation J. Phys. Chem. A 2011, 115, 6102-6111
30. Anderson, G. K. Enthalpy of dissociation and hydration number of methane hydrate from the Clapeyron equation J. Chem. Thermodyn. 2004, 36, 1119-1127
31. Uddin, M.; Wright, F.; Coombe, D. Numerical study of gas evolution and transport behaviours in natural gas-Hydrate reservoirs, J. Can. Pet. Technol. JCPT, 2011, vol. 50, no. 1.
32. 2 gas, J. Energy Resour. Technol. 2008, (JERT-07-1100).