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Original Articles

Molecular studies of the structural properties of hydrogen gas in bulk water

, , &
Pages 269-278 | Received 01 Mar 2006, Accepted 01 Mar 2006, Published online: 31 Jan 2007

References

  • W. Kauzmann. Some factors in the interpretation of protein denaturation. Adv. Protein. chem., 14, 1 (1958).
  • Dill , K.A. 1990 . Dominant forces in protein folding . Biochemistry , 29 : 7133
  • Tanford , C. 1997 . How protein chemists learned about the hydrophobic factor . Protein Sci. , 6 : 1358
  • Tanford , C. 1978 . Hydrophobic effects and the organization of living matter . Science , 200 : 1012
  • Chatti , I. , Delahaye , A. , Fournaison , L. and Petitet , J.-P. 2005 . Benefits and drawbacks of clathrate hydrates: a review of their areas of interest . Energy Convers. Manage. , 46 : 1333
  • Suess , E. , Bohrmann , G. , Greinert , J. and Lausch , E. 1999 . Flammable ice . Sci. Am. , 281 : 76
  • Ashbuagh , H.S. , Asthagiri , D. , Pratt , L.R. and Rempe , S.B. 2003 . Hydration of krypton and consideration of clathrate models of hydrophobic effects from the perspective of quasi-chemical theory . Biophys. Chem. , 105 : 323
  • H.L. Friedman, C.V. Krishnan. In Water: A Comprehensive Treaties, F. Franks (Ed.), Vol. 3, p.1, Plenum Press, New York (1998).
  • Frank , H.S. and Evans , M.W. 1945 . Free volume and entropy in condensed systems . III. Entropy in binary liquid mixtures; partial molal entropy in dilute solutions; structure and thermodynamics in aqueous electrolytes. J. Chem. Phys. , 13 : 507
  • E.D. Sloan. Clathrate Hydrates of Natural Gases, Marcel Dekker Inc., New York (1998).
  • Dyadin , Y.A. , Larinov , E.D. , Manakov , A.Y. , Zhurko , F.V. , Aladko , E.Y. , Mikina , T.V. and Komarov , V.Y. 1999 . Clathrate hydrates of hydrogen and neon . Mendeleev Commun. , 5 : 209
  • Mao , W.L. , Mao , H.-K. , Goncharov , A.F. , Struzhkin , V.V. , Guo , Q. , Hu , J. , Shu , J. , Hemley , R.J. , Somayazulu , M. and Zhao , Y. 2002 . Hydrogen clusters in clathrate hydrate . Science , 297 : 2247
  • Mao , W.L. and Mao , H.-K. 2004 . Hydrogen storage in molecular compounds . Proc. Natl. Acad. Sci. U.S.A. , 101 : 708
  • Patchkovskii , S. and Tse , J.S. 2003 . Thermodynamic stability of hydrogen clathrates . Proc. Natl. Acad. Sci. U.S.A. , 100 : 14645
  • Chakoumakos , B.C. , Rawn , C.J. , Rondinone , A.J. , Stern , L.A. , Circone , S. , Kirby , S.H. , Ishii , Y. , Jones , C.Y. and Toby , B.H. 2003 . Temperature dependence of polyhedral cage volumes in clathrate hydrates . Can. J. Phys. , 81 : 183
  • Lokshin , K.A. , Zhao , Y. , He , D. , Mao , W.L. , Mao , H.-K. , Hemley , R.J. , Lobanov , M.V. and Greenblatt , M. 2004 . Structure and dynamics of hydrogen molecules in the novel clathrate hydrate by high pressure neutron diffraction . Phys. Rev. Lett. , 93 : 125503
  • Alavi , S. , Ripmeester , J.A. and Klug , D.D. 2005 . Molecular-dynamics study of strucuture II hydrogen clathrates . J. Chem. Phys. , 123 : 024507
  • Florusse , L.J. , Peters , C.J. , Schoonman , J. , Hester , K.C. , Koh , C.A. , Dec , S.F. , Marsh , K.N. and Sloan , E.D. 2004 . Stable low-pressure hydrogen clusters stored in a binary clathrate hydrate . Science , 306 : 469
  • Lee , H. , Lee , J.-W. , Kim , D.Y. , Park , J. , Seo , Y.-T. , Zeng , H. , Moudrakovski , I.L. and I , C. 2005 . Ratcliffe, J.A. Ripmeester. Tuning clathrate hydrates for hydrogen storage . Nature , 434 : 743
  • Teleman , O. , Jönsson , B. and Engström , S. 1987 . A molecular dynamics simulation of a water model with intramolecular degrees of freedom . Mol. Phys. , 60 : 193
  • Mizan , T.I. , Savage , P.E. and Ziff , R.M. 1994 . Molecular dynamics of supercritical water using a flexible SPC model . J. Phys. Chem. , 98 : 13067
  • Berendsen , H.J.C. , Grigera , J.R. and Straatsma , T.P. 1987 . The missing term in effective pair potentials . J. Phys. Chem. , 91 : 6269
  • Klauda , J.B. and Sandler , S.I. 2003 . Phase behavior of clathrate hydrates: a model for single and multiple gas component hydrates . Chem. Eng. Sci. , 58 : 27
  • J.O. Hirschfelder, C.F. Curtiss, R.B. Bird. Molecular Theory of Gases and Liquids, p. 168, Wiley, New York (1954).
  • M.P. Allen, D.J. Tildesley. Computer Simulation of Liquids, Oxford University Press, Oxford (1996).
  • Plimpton , S.J. 1995 . Fast parallel algorithms for short-range molecular dynamics . J. Comp. Phys. , 117 : 1
  • S.J. Plimpton, R.D. Pollock, M.J. Stevens. Particle-mesh Ewald and rRESPA for parallel molecular dynamics simulations, 8th SIAM Conference on Parallel Processing for Scientific Computing, Minneapolis, MN, USA (1997).
  • Available online at: http://towhee.sourceforge.net.
  • Martin , M.G. and Siepmann , J.I. 1999 . Novel configurational-bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United-atom description of branched alkanes . J. Phys. Chem. B , 103 : 4508
  • D. Frenkel, B. Smit. Understanding Molecular Simulation, Academic Press, San Diego (2002).
  • Kresse , G. and Hafner , J. 1993 . Ab initio molecular dynamics for liquid metals . Phys. Rev. B , 47 : RC558
  • G. Kresse, J. Furthmüller. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B, 54, 11169 (1996).
  • Wang , Y. and Perdew , J.P. 1991 . Correlation hole of the spin-polarized electron gas with exact small-wave-vector and high-density scaling . Phys. Rev. B , 44 : 13298
  • Perdew , J.P. , Chevary , J.A. , Vosko , S.H. , Jackson , K.A. , Pederson , M.R. , Singh , D.J. and Fiolhais , C. 1992 . Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation . Phys, Rev B , 46 : 6671
  • Vanderbilt , D. 1990 . Soft self-consistent pseudopotentials in a generalized eigenvalue formalism . Phys. Rev. B , 41 : 7892
  • G. Kresse, J. Hafner. Norm-conserving and ultrasoft pseudopotentials for first-row and transition-elements, J. Phys. Condens. Matter, 6, 8245 (1994).
  • Pratt , L.R. 2002 . Molecular theory of hydrophobic effects: “She is too mean to have her name repeated” . Annu. Rev. Phys. Chem. , 53 : 409
  • Rajamani , S. , Ghosh , T. and Garde , S. 2004 . Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior . J. Chem. Phys. , 120 : 4457
  • Stillinger , F.H. 1980 . Water revisited . Science , 209 : 451
  • J.D. Jackson. Classical Electrodynamics, John Wiley & Sons, New York (1975).
  • Cheng , Y. and Rossky , P.J. 1998 . Surface topography dependence of biomolecular hydrophobic hydration . Nature , 392 : 696
  • Glew , D.N. 1962 . Aqueous solubility and the gas-hydrates, The methane-water system . J. Chem. Phys. , 66 : 605
  • LaViolette , R.A. , Copeland , K.L. and Pratt , L.R. 2003 . Cages of water coordinating Kr in aqueous solution . J. Phys. Chem. A , 107 : 11267
  • J. Urquidi. Private communnication.
  • Kalinichev , A.G. , Gorbaty , Y.E. and Okhulkov , A.V. 1999 . Structure and hydrogen bonding of liquid water at high hydrostatic pressures: Monte Carlo NpT-ensemble simulations up 10 kbar . J. Mol. Liq. , 82 : 57
  • Raschke , T.M. and Levitt , M. 2005 . Nonpolar solutes enhance water structure within hydration shells while reducing interactions between them . Proc. Natl. Acad. Sci. U.S.A. , 102 : 6777
  • C.L. Young (Ed.). Hydrogen and Deuterium (Solubility data series), Vol. 5/6, Pergamon Press, Oxford (1981).

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