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Articles

Decomposition of CH4 hydrate: effects of temperature and salt from molecular simulations

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Pages 1220-1228 | Received 20 Nov 2017, Accepted 11 May 2018, Published online: 04 Jun 2018

References

  • Sloan EDK, Koh CA. Clathrate hydrate of nature gases. Boca Raton (FL): CRC Press; 2008.
  • Kvenvolden KA. Gas hydrate and humans. Ann N Y Acad Sci. 2000;912:17–22. doi: 10.1111/j.1749-6632.2000.tb06755.x
  • Shin K, Kumar R, Udachin KA, et al. Ammonia clathrate hydrates as new solid phases for titan, Enceladus, and other planetary systems. Proc Natl Acad Sci U S A. 2012;109:14785–14790. doi: 10.1073/pnas.1205820109
  • Chong ZR, Yang SHB, Babu P, et al. Review of natural gas hydrates as an energy resource: prospects and challenges. Appl Energy. 2016;162:1633–1652. doi: 10.1016/j.apenergy.2014.12.061
  • Hyodo M, Yoneda J, Yoshimoto N, et al. Mechanical and dissociation properties of methane hydrate-bearing sand in deep seabed. Soils Found. 2013;53:299–314. doi: 10.1016/j.sandf.2013.02.010
  • Liang M, Chen G, Sun C, et al. Experimental and modeling study on decomposition kinetics of methane hydrates in different media. J Phys Chem B. 2005;109:19034–19041. doi: 10.1021/jp0526851
  • Windmeier C, Oellrich LR. Visual observation of the methane hydrate formation and dissociation process. Chem Eng Sci. 2014;109:75–81. doi: 10.1016/j.ces.2014.01.018
  • Song Y, Zhang L, Lv Q, et al. Assessment of gas production from natural gas hydrate using depressurization, thermal stimulation and combined methods. RSC Adv. 2016;6:4735–47367.
  • Jager MD, Sloan ED. The effect of pressure on methane hydration in pure water and sodium chloride solutions. Fluid Phase Equil. 2001;185:89–99. doi: 10.1016/S0378-3812(01)00459-9
  • Mekala P, Babu P, Sangwai JS, et al. Formation and dissociation kinetics of methane hydrates in seawater and silica sand. Energy Fuels. 2014;28:2708–2716. doi: 10.1021/ef402445k
  • Barnes BC, Sum AK. Advances in molecular simulations of clathrate hydrates. Current Opinion Chem Eng. 2012;2:184–190. doi: 10.1016/j.coche.2012.12.002
  • English NJ, MacElroy JMD. Perspectives on molecular simulation of clathrate hydrates: progress, prospects and challenges. Chem Eng Sci. 2015;121:133–156. doi: 10.1016/j.ces.2014.07.047
  • English NJ, Johnson JK, Taylor CE. Molecular dynamics simulations of methane hydrate dissociation. J Chem Phys. 2005;123:244503. doi: 10.1063/1.2138697
  • Myshakin EM, Jiang H, Warzinski RP, et al. Molecular dynamics simulations of methane hydrate decomposition. J Phys Chem A. 2009;113:1913–1921. doi: 10.1021/jp807208z
  • Bagherzadeh SA, Englezos P, Alavi S, et al. Molecular simulation of non-equilibrium methane hydrate decompsition process. J Chem Thermodyn. 2012;44:13–19. doi: 10.1016/j.jct.2011.08.021
  • Bagherzadeh SA, Alavi S, Ripmeester JA, et al. Evolution of methane during gas hydrate dissociation. Fluid Phase Equilib. 2013;358:114–120. doi: 10.1016/j.fluid.2013.08.017
  • Bagherzadeh SA, Englezos P, Alavi S, et al. Molecular modeling of the dissociation of methane hydrate in contact with a silica surface. J Phys Chem B. 2012;116:3188–3197. doi: 10.1021/jp2086544
  • Yagasaki T, Matsumoto M, Andoh Y, et al. Effect of bubble formation on the dissociation of methane hydrate in water: a molecular dynamics study. J Phys Chem B. 2014;118:1900–1906. doi: 10.1021/jp412692d
  • Yagasaki T, Matsumoto M, Andoh Y, et al. Dissociation of methane hydrate in aqueous NaCl solutions. J Phys Chem B. 2014;118:11797–11804. doi: 10.1021/jp507978u
  • Lenz A, Ojamäe L. Structures of the i-, ii- and h-methane clathrates and the ice-methane clathrate phase transition from quantum-chemical modeling with force-field thermal corrections. J Phys Chem A. 2011;115:6169–6176. doi: 10.1021/jp111328v
  • Martin MG, Siepmann JI. Transferable potentials for phase equilibria 1. United-atom description of n-alkanes. J Phys Chem B. 1998;102:2569–2577. doi: 10.1021/jp972543+
  • Abascal JLF, Sanz E, García Fernández R, et al. A potential model for the study of ices and amorphous water: TIP-4P/ice. J Chem Phys. 2005;122:234511. doi: 10.1063/1.1931662
  • Bojan MJ, Steele WA. Interactions of diatomic molecules with graphite. Langmuir. 1987;3:1123–1127. doi: 10.1021/la00078a043
  • Smith DE, Dang LX. Computer simulations of nacl association in polarizable water. J Chem Phys. 1994;100:3757–3766. doi: 10.1063/1.466363
  • Berendsen HJC, Postma JPM, Vangunsteren WF, et al. Molecular-dynamics with coupling to an external bath. J Chem Phys. 1984;81:3684–3690. doi: 10.1063/1.448118
  • Essmann U, Perera L, Berkowitz ML, et al. A smooth particle mesh Ewald method. J Chem Phys. 1995;103:8577–8593. doi: 10.1063/1.470117
  • Hess B, Bekker H, Berendsen HJC, et al. LINCS: A linear constraint solver for molecular simulations. J Comput Chem. 1997;18:1463–1472. doi: 10.1002/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H
  • Van Der Spoel D, Lindahl E, Hess B, et al. Gromacs: fast, flexible, and free. J Comput Chem. 2005;26:1701–1718. doi: 10.1002/jcc.20291
  • Baez LA, Clancy P. Computer simulation of the crystal growth and dissolution of natural gas hydrates. Ann NY Acad Sci. 1994;715:177–186. doi: 10.1111/j.1749-6632.1994.tb38833.x
  • Jacobson LC, Hujo W, Molinero V. Thermodynamic stability and growth of guest-free clathrate hydrates: a low-density crystal phase of water. J Phys Chem B. 2009;113:10298–10307. doi: 10.1021/jp903439a
  • Walsh MR, Koh CA, Sloan ED, et al. Microsecond simulations of spontaneous methane hydrate nucleation and growth. Science. 2009;326:1095–1098. doi: 10.1126/science.1174010
  • Bai D, Chen G, Zhang X, et al. Microsecond molecular dynamics simulations of the kinetic pathways of gas hydrate formation from solid surfaces. Langmuir. 2011;27:5961–5967. doi: 10.1021/la105088b
  • Qi Y, Wu W, Liu Y, et al. The influence of NaCl ions on hydrate structure and thermodynamic equilibrium conditions of gas hydrates. Fluid Phase Equil. 2012;325:6–10. doi: 10.1016/j.fluid.2012.04.009
  • Tung Y-T, Chen L-J, Chen Y-P, et al. Molecular dynamics study on the growth of structure-I methane hydrate in aqueous solution of sodium chloride. J Phys Chem B. 2012;116:14115–14125. doi: 10.1021/jp308224v
  • Prausnitz JM, Lichtenthaler RN, de Azevedo EG. Molecular thermodynamics of fluid-phase equilibria. 3rd ed. Upper Saddle River (NJ): Prentice Hall; 1998.

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