The composition of liquid methane-nitrogen aerosols in Titan's lower atmosphere from Monte Carlo simulations

Icarus

Volumn 212, Issue 2, 2011, Pages 779-789

  Firanescu, George ^a   Luckhaus, David ^a   Patey, Grenfell N ^a   Atreya, Sushil K ^b   Signorell, Ruth ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^b UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Atmospheres, Composition; Clouds; Titan

Indexed keywords

EID: 79952902410     PISSN: 00191035     EISSN: 10902643     Source Type: Journal    
DOI: 10.1016/j.icarus.2011.01.021     Document Type: Article

References (59)

1. Ádámkovics M., Barnes J.W., Hartung M., de Pater I. Widespread morning drizzle on Titan. Science 2007, 318:962-965.
2. Agrawal R., Kofke D.A. Thermodynamic and structural-properties of model systems at solid-fluid coexistence. 2. Melting and sublimation of the Lennard-Jones system. Mol. Phys. 1995, 85:43-59.
3. Allen M.P., Tildesley D.J. Computer Simulations of Liquids 1988, Oxford University Press, New York.
4. Angus, S., Armstrong, B., de Reuck, K.M., 1978. International thermodynamic tables of the fluid state. 5. Methane. International Union of Pure and Applied Chemistry, Chemical Data Series No. 16, Pergamon Press, Oxford.
5. Angus, S., Armstrong, B., de Reuck, K.M., 1979. International thermodynamic tables of the fluid state. 6. Nitrogen. International Union of Pure and Applied Chemistry, Chemical Data Series No. 20, Pergamon Press, Oxford.
6. Atreya S.K., Adams E.Y., Niemann H.B., Demick-Montelara J.E., Owen T.C., Fulchignoni M., Ferri F., Wilson E.H. Titan's methane cycle. Planet. Space Sci. 2006, 54:1177-1187.
7. Barth E.L., Rafkin S.C.R. TRAMS: A new dynamic cloud model for Titan's methane clouds. Geophys. Res. Lett. 2007, 34:L03203.
8. Barth E.L., Rafkin S.C.R. Convective cloud heights as a diagnostic for methane environment on Titan. Icarus 2010, 206:467-484.
9. Barth E.L., Toon O.B. Methane, ethane, and mixed clouds in Titan's atmosphere: Properties derived from microphysical modeling. Icarus 2006, 182:230-250.
10. Bender, E., 1975. Calculation of phase equilibria and thermodynamic properties of cryogenic mixtures with a new equation of state. In: Proceedings, International Congress on Chemical Engineering. Chem. Equip. Des. Autom. F, f2.13-f2.28.
11. Carrero-Mantilla J., Llano-Restrepo M. Vapor-liquid equilibria of the binary mixtures nitrogen plus methane, nitrogen plus ethane and nitrogen plus carbon dioxide, and the ternary mixture nitrogen plus methane plus ethane from Gibbs-ensemble molecular simulation. Fluid Phase Equilib. 2003, 208:155-169.
12. Chao S.W., Li A.H.T., Chao S.D. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials. J. Comput. Chem. 2009, 30:1839-1849.
13. Chen B., Potoff J.J., Siepmann J.I. Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary, and tertiary alcohols. J. Phys. Chem. B 2001, 105:3093-3104.
14. Cheung H., Wang D.I.J. Solubility of volatile gases in hydrocarbon solvents at cryogenic temperatures. Ind. Eng. Chem. Fundam. 1964, 3:355-361.
15. Cines M.R., Roach J.T., Hogan R.J., Roland C.H. Nitrogen-methane vapor-liquid equilibria. Chem. Eng. Prog. Symp. Ser. No. 6 1953, 49:1-10.
16. Cordier D., Mousis O., Lunine J.I., Lavvas P., Vuitton V. An estimate of the chemical composition of Titan's lakes. Astrophys. J. Lett. 2009, 707:L128-L131.
17. De Kok R., Irwin P.G.J., Teanby N.A. Far-infrared opacity sources in Titan's troposphere reconsidered. Icarus 2010, 209:854-857.
18. Frenkel D., Smit B. Understanding Molecular Simulation: From Algorithms to Applications 2001, Academic Press. second ed.
19. Fulchignoni M., et al. In situ measurements of the physical characteristics of Titan's environment. Nature 2005, 438:785-791.
20. Graves S.D.B., McKay C.P., Griffith C.A., Ferri F., Fulchignoni M. Rain and hail can reach the surface of Titan. Planet. Space Sci. 2008, 56:346-357.
21. Griffith C.A., et al. Evidence for a polar ethane cloud on Titan. Science 2006, 313:1620-1622.
22. Hayden J.G., O'Connell J.P. A generalized method for predicting second virial coefficients. Ind. Eng. Chem. Process Des. Dev. 1975, 14:209-216.
23. Iglesias-Silva G.A., Holste J.C., Eubank P.T., Marsh K.N., Hall K.R. A vapor pressure equation from extended asymptotic behaviour. AIChE J. 1987, 33:1550-1556.
24. Johnson J.K., Zollweg J.A., Gubbins K.E. The Lennard-Jones equation of state revisited. Mol. Phys. 1993, 78:591-618.
25. Kidnay A.J., Miller R.C., Parrish W.R., Hiza M.J. Liquid-vapour phase equilibria in the N2-CH4 system from 130 to 180K. Cryogenics 1975, 15:531-540.
26. Kim S.J., Trafton L.M., Geballe T.R. No evidence of morning or large-scale drizzle on Titan. Astrophys. J. Lett. 2008, 679:L53-L56.
27. Kouvaris L.C., Flasar F.M. Phase equilibrium of methane and nitrogen at low temperatures: Application to Titan. Icarus 1991, 91:112-124.
28. Lemmon, E.W., McLinden, M.O., Friend, D.G., 2010. Thermophysical properties of fluid systems. In: Linstrom, P.J., Mallard, W.G. (Eds.), NIST Chemistry WebBook, NIST Standard Reference Database Number 69. National Institute of Standards and Technology, Gaithersburg, MD (retrieved 14.10.10). http://webbook.nist.gov.
29. Lotfi, A., 1993. Dr.-Ing. thesis at Ruhr-Universität, Bochum. See also Fortschr. Ber. VDI, Reihe 3, Nr. 335, VDI-Verlag, Düsseldorf.
30. Lunine J.I., Atreya S.K. The methane cycle on Titan. Nat. Geosci. 2008, 1:159-164.
31. Martin M.G., Siepmann J.I. Predicting multicomponent phase equilibria and free energies of transfer for alkanes by molecular simulation. J. Am. Chem. Soc. 1997, 119:8921-8924.
32. McClure D.W., Lewis K.L., Miller R.C., Staveley L.A.K. Excess enthalpies and Gibbs free energies for nitrogen+methane at temperatures below the critical point of nitrogen. J. Chem. Thermodyn. 1976, 8:785-792.
33. McDonald I.R. NpT-ensemble Monte Carlo calculations for binary liquid mixtures. Mol. Phys. 1972, 23:41-58.
34. McDonald, I.R., 1973. Statistical Mechanics, vol. 1 (edited by K. Singer, Specialist Periodical Report, The Chemical Society, London).
35. Murthy C.S., Singer K., Klein M.L., McDonald I.R. Pairwise additive effective potentials for nitrogen. Mol. Phys. 1980, 41:1387-1399.
36. Niemann, H.B., Atreya, S.K., Demik, J.E., Gautier, D., Haberman, J.A., Harpold, D.N., Kasprzak, W.T., Lunine, J.I., 2010. The composition of Titan's lower atmosphere and simple surface volatiles as measured by the Cassini-Huygens probe gas chromatograph mass spectrometer experiment. J. Geophys. Res. 115, E12006, doi:10.1029/2010JE003659.
37. Niemann H.B., et al. The abundances of constituents of Titan's atmosphere from the GCMS instrument on the Huygens probe. Nature 2005, 438:779-784.
38. Omar M.H., Dokoupil Z., Schroten H.G.M. Determination of the solid-liquid equilibrium diagram for the nitrogen-methane system. Physica 1962, 28:309-329.
39. Orbey H., Vera J.H. Correlation of the third virial coefficient using Pc, Tc and ω as parameters. AIChE J. 1983, 29:107-113.
40. Panagiotopoulos A.Z. Exact calculations of fluid-phase equilibria by monte carle simulation in a new statistical ensemble. Int. J. Thermophys. 1989, 10:447-457.
41. Parrish W.R., Hiza M.J. Liquid-vapor equilibria in the nitrogen-methane system between 95 and 120K. Adv. Cryog. Eng. 1974, 19:300-308.
42. Penteado P.F., Griffith C.A., Tomasko M.G., Engel S., See C., Doose L., Baines K.H., et al. Latitudinal variations in Titan's methane and haze from Cassini VIMS observations. Icarus 2010, 206:352-365.
43. Potoff J.J., Siepmann J.I. Vapor liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen. AIChE J. 2001, 47:1676-1682.
44. Prausnitz J.M. Molecular Thermodynamics of Fluid-Phase Equilibria 1969, Prentice-Hall, Englewood Cliffs, NJ.
45. Schindler H., Vogelsang R., Staemmler V., Siddiqi M.A., Svejda P. Ab initio intermolecular potentials of methane, nitrogen and methane+nitrogen and their use in Monte Carlo simulations of fluids and fluid mixtures. Mol. Phys. 1993, 80:1413-1429.
46. Setzmann U., Wagner W. A new equation of state and tables of thermodynamic properties for methane covering the range from the melting line to 625K at pressures up to 1000MPa. J. Phys. Chem. Ref. Data 1991, 20:1061-1155.
47. Shadman M., Yeganegi S., Ziaie F. Ab initio interaction potential of methane and nitrogen. Chem. Phys. Lett. 2009, 467:237-242.
48. Sprow F.B., Prausnitz J.M. Vapor-liquid equilibria for five cryogenic mixtures. AIChE J. 1966, 12:780-784.
49. Stryjek R., Chappelear P.S., Kobayashi R. Low-temperature vapor-liquid equilibria of nitrogen-methane system. J. Chem. Eng. Data 1974, 19:334-339.
50. Szczesniak M.M., Chalasinski G., Cybulski S.M., Scheiner S. Intermolecular potential of the methane dimer and trimer. J. Chem. Phys. 1990, 93:4243-4253.
51. Thompson W.R., Zollweg J.A., Gabis D.H. Vapor-liquid equilibrium thermodynamics of N2+CH4: Model and Titan applications. Icarus 1992, 97:187-199.
52. Tokano T., McKay C.P., Neubauer F.M., Atreya S.K., Ferri F., Fulchignoni M., Niemann H.B. Methane drizzle on Titan. Nature 2006, 442:432-435.
53. Tomasko M.G., et al. Rain, winds and haze during the Huygens probe's descent to Titan's surface. Nature 2005, 438:765-778.
54. Valleau J.P. Number-dependence concerns in Gibbs-ensemble Monte Carlo. J. Chem. Phys. 1998, 108:2962-2966.
55. Vrabec J., Fischer J. Vapor-liquid equilibria of binary mixtures containing methane, ethane, and carbon dioxide from molecular simulation. Int. J. Thermophys. 1996, 17:889-908.
56. Vrabec J., Huang Y.-l., Hasse H. Molecular models for 267 binary mixtures validated by vapor-liquid equilibria: A systematic approach. Fluid Phase Equilib. 2009, 279:120-135.
57. Vrabec J., Stoll J., Hasse H. A set of molecular models for symmetric quadrupolar fluids. J. Phys. Chem. B 2001, 105:12126-12133.
58. Wang C.C., Atreya S.K., Signorell R. Evidence for layered methane clouds in Titan's troposphere. Icarus 2010, 206:787-790.
59. Wang C.C., Lang E.K., Signorell R. Methane gas stabilizes supercooled ethane droplets in Titan's clouds. Astrophys. J. Lett. 2010, 712:L40-L43.