Probing Gas-Liquid Interfacial Dynamics by Helium Evaporation from Hydrocarbon Liquids and Jet Fuels

Journal of Physical Chemistry C

Volumn 119, Issue 26, 2015, Pages 14613-14623

  Lancaster, Diane K ^a   Johnson, Alexis M ^a   Kappes, Keaten ^a   Nathanson, Gilbert M ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ETHYLENE; ETHYLENE GLYCOL; EVAPORATION; FUELS; HELIUM; JET FUEL; KINETIC ENERGY; LIQUIDS; MIXTURES; SURFACE TENSION;

AROMATIC RINGS; COMPLEX FUELS; DIRECT CHANNEL; GAS LIQUIDS; HYDROCARBON LIQUIDS; INTERFACIAL DYNAMICS; PURE LIQUIDS; SOLVENT MOLECULES;

FIGHTER AIRCRAFT;

EID: 84947582990     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp512392b     Document Type: Article

References (51)

1. Kern, K.; Comsa, G. Helium-Scattering Studies of the Dynamics and Phase Transitions of Surfaces Adv. Chem. Phys. 1989, 211-280
2. Glebov, A.; Graham, A. P.; Menzel, A.; Toennies, J. P.; Senet, P. A Helium Atom Scattering Study of the Structure and Phonon Dynamics of the Ice Surface J. Chem. Phys. 2000, 112, 11011
3. Chidsey, C. E. D.; Liu, G.-Y.; Rowntree, P.; Scoles, G. Molecular Order at the Surface of an Organic Monolayer Structure Studied by Low Energy Helium Diffraction J. Chem. Phys. 1989, 91, 421-423
4. Rosenbaum, A. W.; Freedman, M. A.; Darling, S. B.; Popova, I.; Sibener, S. J. Surface Vibrations in Alkanethiol Self-Assembled Monolayers of Varying Chain Length J. Chem. Phys. 2004, 120, 3880-3886
5. Becker, J. S.; Brown, R. D.; Killelea, D. R.; Yuan, H.; Sibener, S. J. Comparative Surface Dynamics of Amorphous and Semicrystalline Polymer Films Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 977-982
6. Johnson, A. M.; Lancaster, D. K.; Faust, J. A.; Hahn, C.; Reznickova, A.; Nathanson, G. M. Ballistic Evaporation and Solvation of Helium Atoms at the Surfaces of Protic and Hydrocarbon Liquids J. Chem. Phys. Lett. 2014, 5, 3914-3918
7. Faubel, M.; Schlemmer, S.; Toennies, J. P. A Molecular Beam Study of the Evaporation of Water from a Liquid Jet Z. Phys. D 1988, 10, 269-277
8. Wilson, K. R.; Rude, B. S.; Smith, J.; Cappa, C.; Co, D. T.; Schaller, R. D.; Larsson, M.; Catalano, T.; Saykally, R. J. Investigation of Volatile Liquid Surfaces by Synchrotron X-ray Spectroscopy of Liquid Microjets Rev. Sci. Instrum. 2004, 75, 725-736
9. 4 J. Phys. Chem. A 2000, 104, 6738-6751
10. Rettner, C. T.; Schweizer, E. K.; Mullins, C. B. Desorption and Trapping of Argon at a 2H-W(100) Surface and a Test of the Applicability of Detailed Balance to a Nonequilibrium System J. Chem. Phys. 1989, 90, 3800-3813
11. Edwards, T.; Maurice, L. Q. Surrogate Mixtures to Represent Complex Aviation and Rocket Fuels J. Propul. Power 2001, 17, 461-466
12. Woodrow, J. E. The Laboratory Characterization of Jet Fuel Vapor and Liquid Energy Fuels 2003, 17, 216-224
13. See also Isaacman, G.; Wilson, K. R.; Chan, A. W. H.; Worton, D. R.; Kimmel, J. R.; Nah, T.; Hohaus, T.; Gonin, M.; Kroll, J. H.; Worsnop, D. R.; Goldstein, A. H. Improved Resolution of Hydrocarbon Structures and Constitutional Isomers in Complex Mixtures Using Gas Chromatography-Vacuum Ultraviolet-Mass Spectrometry Anal. Chem. 2012, 84, 2335-2342
14. Edwards, T. Advancements in Gas Turbine Fuels from 1943 to 2005 J. Eng. Gas Turbines Power-Trans. ASME 2007, 129, 13-20
15. Jones, E. G.; Balster, L. M.; Balster, W. J. Quantitative Evaluation of Jet-Fuel Fouling and the Effect of Additives Energy Fuels 1995, 9, 906-912
16. Jasper, J. J. The Surface Tension of Pure Liquid Compounds J. Phys. Chem. Ref. Data 1972, 1, 841-1009
17. Luning Prak, D. J.; Alexandre, S. M.; Cowart, J. S.; Trulove, P. C. Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of n-Dodecane with 2,2,4,6,6-Pentamethylheptane or 2,2,4,4,6,8,8-Heptamethylnonane J. Chem. Eng. Data 2014, 59, 1334-1346
18. Mylona, S. K.; Assael, M. J.; Comunas, M. J. P.; Paredes, X.; Gacino, F. M.; Fernandez, J.; Bazile, J. P.; Boned, C.; Daridon, J. L.; Galliero, G. et al. Reference Correlations for the Density and Viscosity of Squalane from 273 to 473 K at Pressures to 200 MPa J. Phys. Chem. Ref. Data 2014, 43, 013104
19. Pádua, A. A. H.; Fereleira, J. M. N. A.; Calado, J. C. G.; Wakeham, W. A. Density and Viscosity Measurements of 2,2,4-Trimethylpentane (Isooctane) from 198 to 348 K and up to 100 MPa J. Chem. Eng. Data 1996, 41, 1488-1494
20. Bruno, T. J.; Huber, M.; Laesecke, A.; Lemmon, E.; McLinden, M.; Outcalt, S. L.; Perkins, R.; Smith, B. L.; Widegren, J. A.: Thermodynamic, Transport and Chemical Properties of JP-8; National Institute of Science and Technology: Gaithersburg, MD, 2010; NISTIR 6659.
21. Outcalt, S. L.; Laesecke, A.; Brumback, K. J. Comparison of Jet Fuels by Measurements of Density and Speed of Sound of a Flightline JP-8 Energy Fuels 2010, 24, 5573-5578
22. Clever, H. L.; Battino, R.; Saylor, J. H.; Gross, P. M. The Solubility of Helium, Neon, Argon and Krypton in Some Hydrocarbon Solvents J. Phys. Chem. 1957, 61, 1078-1082
23. Boyce, J. F.; Schürch, S.; Rotenberg, Y.; Neumann, A. W. The Measurement of Surface and Interfacial Tension by the Axiosymmetric Drop Technique Colloids Surf. 1984, 9, 307-317
24. Eagland, D.; Midgley, B.; Hughes, I. S. Temperature-Dependent Studies of Liquid Surface Tensions and Works of Adhesion for an Eicosane Surface J. Colloid Interface Sci. 1989, 136, 327-337
25. 2 for chain ends at the surface.
26. Smith, J. D.; Cappa, C. D.; Drisdell, W. S.; Cohen, R. C.; Saykally, R. J. Raman Thermometry Measurements of Free Evaporation from Liquid Water Droplets J. Am. Chem. Soc. 2006, 128, 12892-12898
27. Lefebvre, A. H. Atomization and Sprays; Hemisphere: New York, 1989; p 50.
28. Faubel, M. Photoelectron Spectroscopy at Liquid Surfaces. In Photoionization and Photodetachment; Ng, C.-Y., Ed.; World Scientific: Singapore, 2000; pp 634-690.
29. Sadtchenko, V.; Brindza, M.; Chonde, M.; Palmore, B.; Eom, R. The Vaporization Rate of Ice at Temperatures Near its Melting Point J. Chem. Phys. 2004, 121, 11980-11992
30. a, which is the value for collisions within a one-component gas. See: Levine, I. N. Physical Chemistry, 5 th ed.; McGraw Hill: Boston, 2001; p 478.
31. Somasundaram, T.; Lyndem-Bell, R. M. The Velocity Distribution of Desorbing Molecules: A Simulation Study Mol. Phys. 1999, 97, 1029-1034
32. See also: Somasundaram, T.; Lyndem-Bell, R. M.; Patterson, C. H. The Passage of Gases through the Liquid Water/Vapor Interface: A Simulation Study Phys. Chem. Chem. Phys. 1999, 1, 143-148
33. Faubel, M.; Kisters, T. Non-Equilibrium Molecular Evaporation of Carboxylic Acid Dimers Nature 1989, 339, 527-529
34. Comsa, G.; David, R. Dynamical Parameters of Desorbing Molecules Surf. Sci. Rep. 1985, 5, 145-198
35. Auerbach, D. J., Velocity Selection by Time-of-Flight Methods. In Atomic and Molecular Beam Methods; Scoles, G., Ed.; Oxford University Press: New York, 1988; Vol. 2, pp 362-379.
36. Lancaster, D. K. Ph. D. Thesis, University of Wisconsin-Madison, 2014.
37. 3-Si(111) Surfaces J. Chem. Phys. 2010, 133, 014705
38. The non-Maxwellian He evaporation experiments may help to explain the remarkable calorimetric studies of helium transport from n-octane. See: Phillips, L. F. Onsager Heat of Transport at the n-Octane Liquid-Vapour Interface: Effects of Altering the Size of the Vapour-Gap and of Adding Helium Chem. Phys. Lett. 2008, 458, 388-390
39. Tully, J. C. Dynamics of Gas-Surface Interactions: Thermal Desorption of Ar and Xe from Platinum Surf. Sci. 1981, 111, 461-478
40. 2O Amorphous Ice: Observation of a Lattice Inverse Isotope Effect Phys. Rev. Lett. 2004, 92, 198306
41. Benjamin, I. Chemical Reactions and Solvation at Liquid Interfaces: A Microscopic Perspective Chem. Rev. 1996, 96, 1449-1476
42. Rowlinson, J. S.; Widom, B. Molecular Theory of Capillarity; Oxford: New York, 1982; Ch. 4.9.
43. Pershan, P. S.; Schlossman, M. L. Liquid Surfaces and Interfaces; Cambridge University Press: Cambridge, 2012; Ch. 1.3.
44. Phillips, L. F. Local Modes and the Surface-Bulk Exchange Rate at a Liquid Surface J. Phys. Chem. B 2001, 105, 1041-1046
45. Weeks, J. D. Structure and Thermodynamics of the Liquid-Vapor Interface J. Chem. Phys. 1977, 67, 3106-3121 (eq 50).
46. Grimmelmann, E. K.; Tully, J. C.; Cardillo, M. J. Hard-Cube Model Analysis of Gas-Surface Energy Accommodation J. Chem. Phys. 1980, 72, 1039-1043
47. For molecular dynamics simulations of solvent evaporation and condensation, see Xia, T. K.; Landman, U. Molecular Evaporation and Condensation of Liquid n-Alkane Films J. Chem. Phys. 1994, 101, 2498-2507
48. and Cao, B.-Y.; Xie, J.-F.; Sazhin, S. S. Molecular Dynamics Study on Evaporation and Condensation of n-Dodecane at the Liquid-Vapor at Liquid-Vapor Phase Equilibria J. Chem. Phys. 2011, 134, 164309
49. Hommel, E. L.; Allen, H. C. 1-Methyl Naphthalene Reorientation at the Air-Liquid Interface upon Water Saturation Studied by Vibrational Broad Bandwidth Sum Frequency Generation Spectroscopy J. Phys. Chem. B 2003, 107, 10823-10828
50. For simulations of stacking of MN in the bulk, see Zhang, L.; Greenfield, M. L. Molecular Orientation in Model Asphalts Using Molecular Simulation Energy Fuels 2007, 21, 1102-1111
51. Mikami, M.; Kojima, N. An Experimental and Modeling Study on Stochastic Aspects of the Microexplosion of Binary-Fuel Droplets Proc. Combust. Inst. 2002, 29, 551-559