Simulation of hydrocarbon molecules' absorption by ultra disperse water medium

References

• Yezdimer , E.M. , Sedlbauer , J. and Wood , R.H. 2000 . Predictions of thermodynamic properties at infinite dilution of aqueous organic species at high temperatures via functional group additivity . Chem. Geol. , 164 : 259 – 280 .
   Web of Science ®Google Scholar
• Xu , H. , Stern , H.A. and Berne , B.J. 2002 . Can water polarizability be ignored in hydrogen bond kinetics? . J. Phys. Chem. B , 106 : 2054 – 2060 .
   Web of Science ®Google Scholar
• Suzuki , S. , Green , P.O. , Bumgarner , R.E. , Dasgupta , S. , Goddard , W.A. and Blake , G.A. 1992 . Benzene form hydrogen bonds with water . Science , 257 : 942 – 945 .
   PubMed Web of Science ®Google Scholar
• Gruenloh , C.J. , Carney , J.R. , Hagemeister , F.C. , Zwier , T.S. , Wood , J.T. III and Jordan , K.D. 2000 . Resonant ion-dip infrared spectroscopy of benzene–(water)9: Expanding the cube . J. Chem. Phys. , 113 : 2290 – 2303 .
   Web of Science ®Google Scholar
• Stern , H.A. and Berne , B.J. 2001 . Quantum effects in liquid water: Path-integral simulations of a flexible and polarizable ab initio model . J. Chem. Phys. , 115 : 7622 – 7628 .
   Web of Science ®Google Scholar
• Galashev , A.Y. , Chukanov , V.N. , Novruzov , A.N. and Novruzova , O.A. 2006 . Molecular-dynamic calculation of spectral characteristics of absorption of infrared radiation by (H2O)i and CH4(H2O) i clusters . Teplofiz. Vys. Temp. , 44 : 370 – 377 . [High Temp. 44 (2006), pp. 364–372]
   Web of Science ®Google Scholar
• Novruzov , A.N. , Rakhmanova , O.R. , Novruzova , O.A. and Galashev , A.Y. 2007 . Determination of acetylene solubility in dispersed water by computer simulation . Neftekhimiya , 47 : 474 – 480 . [Petroleum Chem. 47 (2007), pp. 442–447]
   Google Scholar
• Galashev , A.Y. , Chukanov , V.N. , Novruzov , A.N. and Novruzova , O.A. 2007 . Simulation of dielectric properties and stability of clusters (H2O)i, CO2(H2O)i, and CH4(H2O)i . Elektrokhimiya , 43 : 143 – 153 . [Rus. J. Electrochem. 43 (2007), pp. 136–145]
   Google Scholar
• Galashev , A.Y. , Rakhmanova , O.R. , Galasheva , O.A. and Novruzov , A.N. 2006 . Molecular dynamics study of the greenhouse gases clusterization . Phase Transitions , 79 : 911 – 920 .
   Web of Science ®Google Scholar
• Brodskaya , E.N. 2001 . Molecular-dynamic simulation of mixed water–methanol clusters: 1. Local structure, 2. Surface potential, 3. Local energy and the work of formation . Kolloid. Zh. , 63 : 10 – 24 . [Colloid. Journ. 63 (2001), pp. 5–19]
   Google Scholar
• Dang , L.X. and Chang , T.-M. 1997 . Molecular dynamics study of water clusters, liquid, and liquid–vapor interface of water with many-body potentials . J. Chem. Phys. , 106 : 8149 – 8159 .
   Web of Science ®Google Scholar
• Jorgensen , W.L. and Madura , J.D. 1983 . Solvation and conformation of methanol in water . J. Am. Chem. Soc. , 105 : 1407 – 1413 .
   Web of Science ®Google Scholar
• Benedict , W.S. , Gailar , N. and Plyler , E.K. 1956 . Rotation–vibration spectra of a deuterated water . J. Chem. Phys. , 24 : 1139 – 1165 .
   Web of Science ®Google Scholar
• Xantheas , S. 1996 . The Hamiltonian for a weakly interacting trimer of polyatomic monomers . J. Chem. Phys. , 104 : 8821 – 8824 .
   Web of Science ®Google Scholar
• Feller , D. and Dixon , D.A. 1996 . The hydrogen bond energy of the trimer . J. Chem. Phys. , 100 : 2993 – 2997 .
   Google Scholar
• Smith , D.E. and Dang , L.X. 1994 . Computer simulations of NaCl association in polarizable water . J. Chem. Phys. , 100 : 3757 – 3766 .
   Web of Science ®Google Scholar
• Ahlstrom , P. , Wallqvist , A. , Engstrom , S. and Jonsson , B. 1989 . A molecular dynamics study of polarizable water . Mol. Phys. , 68 : 563 – 581 .
   Web of Science ®Google Scholar
• Spackman , M.A. 1986 . Atom–atom potentials via electron gas theory . J. Chem. Phys. , 85 : 6579 – 6585 .
   Web of Science ®Google Scholar
• Nikol'skii , B.P. , ed. 1971 . Spravochnik khimika [Chemist's Handbook] , Vol. 1 , Leningrad : Khimiya .
   Google Scholar
• Morse , J.K. 1928 . The structure and dimensions of the ethane molecule . Physics , 14 : 37 – 40 .
   Google Scholar
• Chukanov , V.N. and Galashev , A.Y. 2008 . Cluster mechanism of the anti-greenhouse effect . Doklady Academii Nauk , 421 : 786 – 789 . [Doklady Phys. Chem. 421 (2008), pp. 226–229]
   Google Scholar
• Haile , J.M. 1992 . Molecular Dynamics Simulation: Elementary Methods , New York : Wiley .
   Google Scholar
• Landau , L.D. and Lifshitz , E.M. 1982 . Elektrodinamika sploshnykh sred [Electrodynamics of Continuous Media] , Moscow : Nauka .
   Google Scholar
• Prokhorov , A.M. , ed. 1988 . Fizicheskaya entsiklopediya [Physical Encyclopedia] , Vol. 1 , Moscow : Nauka .
   Google Scholar
• Bresme , F. 2001 . Equilibrium and non-equilibrium molecular-dynamics simulations of the central force model of water . J. Chem. Phys. , 115 : 7564 – 7574 .
   Web of Science ®Google Scholar
• Shevkunov , S.V. 2002 . Structure and thermal stability of the hydration shells of chloride ions in the polar stratosphere as modeled by the Monte Carlo method . Zh. Fizicheskoi Khimii , 76 : 583 – 593 . [Russ. J. Phys. Chem. 76 (2002), pp. 499–508]
   Google Scholar
• Hermans , J. , Pathiaseril , A. and Anderson , A. 1988 . Excess free energy of liquids from molecular dynamics simulations. Application to water models . J. Am. Chem. Soc. , 110 : 5982 – 5986 .
   PubMed Web of Science ®Google Scholar
• Allouch , A. 1999 . Quantum study of acetylene adsorption on ice surface . J. Phys. Chem. A , 103 : 9150 – 9153 .
   Web of Science ®Google Scholar
• Silva , S.C. and Devlin , J.P. 1994 . Interaction of acetylene, ethylene, and benzene with ice surfaces . J. Phys. Chem. , 98 : 10847 – 10852 .
   Web of Science ®Google Scholar
• Frish , M.J. , Pople , J.P. and Del Bene , J.E. 1983 . Hydrogen bonds between first-row hydrides and acetylene . J. Chem. Phys. , 78 : 4063 – 4065 .
   Web of Science ®Google Scholar
• Kirov , M.V. 1993 . F-structure of polyhedral water clusters . Zh. Khimicheskoy Fiz. , 34 : 77 – 82 .
   Google Scholar
• Sremaniak , L.S. , Perera , L. and Berkowitz , M.L. 1996 . Cube to cage transitions in (H2O)n (n = 12, 16, and 20) . J. Chem. Phys. , 105 : 3715 – 3721 .
   Web of Science ®Google Scholar
• Tsai , C.J. and Jordan , K.D. 1993 . Theoretical study of small water clusters: Low-energy fused cubic structures for (H2O)n . n = 8, 12, 16, and 20, J. Phys. Chem. , 97 : 5208 – 5210 .
   Google Scholar
• Wales , D.J. and Ohmine , I. 1993 . Structure, dynamics, and thermodynamics of model (H2O)8 and (H2O)20 clusters . J. Chem. Phys. , 98 : 7245 – 7272 .
   Web of Science ®Google Scholar
• Maheshwary , S. , Patel , N. , Sathyamurthy , N. , Kulkarni , A.D. and Gadre , S.R. 2001 . Structure and stability of water clusters (H2O)n, n = 8–20: An ab initio investigation . J. Phys. Chem. A , 105 : 10525 – 10537 .
   Web of Science ®Google Scholar
• Neumann , M. 1986 . Dielectric relaxation in water. Computer simulations with the TIP4P potential . J. Chem. Phys. , 85 : 1567 – 1580 .
   Web of Science ®Google Scholar
• Angell , C.A. and Rodgers , V. 1984 . Near infrared spectra and the disrupted network model of normal and supercooled water . J. Chem. Phys. , 80 : 6245 – 6252 .
   Web of Science ®Google Scholar
• Goggin , P.L. and Carr , C. 1986 . “ Far infrared spectroscopy and aqueous solutions ” . In Water and Aqueous Solutions , Edited by: Neilson , G.W. and Enderby , J.E. 149 – 161 . Bristol : Adam Hilger .
   Google Scholar
• Kozintzev , V.I. , Belov , M.L. , Gorodnichev , V.A. and Fedotov , U.V. 2003 . Lazernyi optiko-akusticheskii analiz mnogokomponentnykh gazovykh smesei [Laser Optical Acoustic Analysis of Multicomponent Gas Mixtures] , Moscow : The MSTU named N.E. Bauman Press .
   Google Scholar
• Novruzov , A.N. , Rakhmanova , O.R. , Novruzova , O.A. and Galashev , A.Y. 2008 . The structure of water clusters interacting with gaseous acetylene . Khimicheskaya Fiz. , 27 : 37 – 45 . [Rus. J. Phys. Chem. B 2 (2008), pp. 115–122]
   Google Scholar
• Novruzov , A.N. , Rakhmanova , O.R. and Galashev , A.Y. 2008 . Computer simulation of the structure of water clusters containing absorbed ethane molecules . Kolloidn. Zh. , 70 : 71 – 77 . [Colloid. Journ. 70 (2008), pp. 64–70]
   Google Scholar