Effects of Shapes of Solute Molecules on Diffusion: A Study of Dependences on Solute Size, Solvent, and Temperature

Journal of Physical Chemistry B

Volumn 119, Issue 51, 2015, Pages 15718-15728

  Chan, T C ^a   Li, H T ^a   Li, K Y ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

METHANOL; MOLECULES; SOLVENTS;

CONSTANT TEMPERATURE; DIFFERENT SHAPES; DIFFUSION DATA; INFINITE DILUTION; MOLECULAR VOLUME; SOLUTE MOLECULES; SOLUTE PAIRS; SOLVENT PROPERTIES;

DIFFUSION;

EID: 84952360386     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b10550     Document Type: Article

References (81)

1. Hayduk, W.; Buckley, W. D. Effect of Molecular Size and Shape on Diffusivity in Dilute Liquid Solutions Chem. Eng. Sci. 1972, 27, 1997-2003 10.1016/0009-2509(72)87058-1
2. Chan, T. C. Diffusion of Aromatic Compounds: An Investigation on the Effects of Molecular Shape, Mass, and Dipole Moment J. Chem. Phys. 1984, 80, 5862-5864 10.1063/1.446615
3. Chan, T. C.; Chan, M. L. Diffusion of Pseudo-planar Molecules: An Experimental Evaluation of the Molecular Effects on Diffusion J. Chem. Soc., Faraday Trans. 1992, 88, 2371-2374 10.1039/ft9928802371
4. Chan, T. C.; Chan, M. L. Corrigendum to Diffusion of Pseudo-planar Molecules: An Experimental Evaluation of the Molecular Effects on Diffusion J. Chem. Soc., Faraday Trans. 1993, 89, 867 10.1039/ft9938900867
5. Skipp, C. J.; Tyrrell, H. J. V. Diffusion in Viscous Solvents Part 2.- Planar and Spherical Molecules in Propane-1,2-diol at 15, 25 and 35°C J. Chem. Soc., Faraday Trans. 1 1975, 71, 1744-1753 10.1039/f19757101744
6. Tyrrell, H. J. V.; Watkiss, P. J. Diffusion in Viscous Solvents Part 3.- Interdiffusion Coefficients for Planar and Spherical Solutes in 2-methylpentane 2,4-diol, and their Relationship to Diffusion Coefficients Derived from Luminescence Measurements J. Chem. Soc., Faraday Trans. 1 1979, 75, 1417-1432 10.1039/f19797501417
7. 6 and a Related Model Solution J. Chem. Phys. 1988, 89, 7457-7461 10.1063/1.455277
8. Vasanthi, R.; Bhattacharyya, S.; Bagchi, B. Anisotropic Diffusion of Spheroids in Liquids: Slow Orientational Relaxation of the Oblates J. Chem. Phys. 2002, 116, 1092-1096 10.1063/1.1428343
9. Atkins, P.; de Paula, J. Physical Chemistry, 9 th ed.; Freeman: New York, 2010.
10. Freifelder, D. Physical Biochemistry Application to Biochemistry and Molecular Biology, 2 nd ed.; W. H. Freeman and Company: New York, 1982.
11. Chan, T. C.; Tang, W. K. Diffusion of Aromatic Compounds in Nonaqueous Solvents: A Study of Solute, Solvent, and Temperature Dependences J. Chem. Phys. 2013, 138, 224503 10.1063/1.4808216
12. Srinivas, K.; King, J. W.; Howard, L. R.; Monrad, J. K. Binary Diffusion Coefficients of Phenolic Compounds in Subcritical Water Using a Chromatographic Peak Broadening Technique Fluid Phase Equilib. 2011, 301, 234-243 10.1016/j.fluid.2010.12.003
13. Plugatyr, A.; Svishchev, I. M. Molecular Diffusivity of Phenol in Sub- and Supercritical Water: Application of the Split-Flow Taylor Dispersion Technique J. Phys. Chem. B 2011, 115, 2555-2562 10.1021/jp1107075
14. Mialdun, A.; Sechenyh, V.; Legros, J. C.; Ortiz de Zárate, J. M.; Shevtsova, V. Investigation of Fickian Diffusion in the Ternary Mixture of 1,2,3,4-tetrahydronaphthalene, Isobutylbenzene and Dodecane J. Chem. Phys. 2013, 139, 104903 10.1063/1.4820357
15. Ghanavati, M.; Hassanzadeh, H.; Abedi, J. Application of Taylor Dispersion Technique to Measure Mutual Diffusion Coefficient in Hexane + Bitumen System AIChE J. 2014, 60, 2670-2682 10.1002/aic.14438
16. Heintz, A.; Lehmann, J. K.; Schmidt, E.; Wandschneider, A. Diffusion Coefficients of Imidazolium Based Ionic Liquids in Aqueous Solutions J. Solution Chem. 2009, 38, 1079-1083 10.1007/s10953-009-9431-2
17. Rodrigo, M. M.; Valente, A. J. M.; Barros, M. C. F.; Verissimo, L. M. P.; Ramos, M. L.; Justino, L. L. G.; Burrows, H. D.; Ribeiro, A. C. F.; Esteso, M. A. Binary Diffusion Coefficients of L-histidine Methyl Ester Dihydrochloride in Aqueous Solutions J. Chem. Thermodyn. 2015, 89, 240-244 10.1016/j.jct.2015.05.013
18. Tyrrell, H. J. V.; Harris, K. R. Diffusion in Liquids; Butterworths: London, 1984.
19. Chan, T. C.; Lee, I.; Chan, K. S. Effect of Solvent on Diffusion: Probing with Nonpolar Solutes J. Phys. Chem. B 2014, 118, 10945-10955 10.1021/jp505141z
20. Evans, D. F.; Chan, C.; Lamartine, B. C. The Effect of Charge upon Mobility. A Critical Examination of the Zwanzig Equation J. Am. Chem. Soc. 1977, 99, 6492-6496 10.1021/ja00462a004
21. Lu, J. G.; Kong, R.; Chan, T. C. Effects of Molecular Association on Mutual Diffusion: A Study of Hydrogen Bonding in Dilute Solutions J. Chem. Phys. 1999, 110, 3003-3008 10.1063/1.477895
22. Chan, T. C. Diffusion of Pseudospherical Molecules: An Investigation on the Effects of Dipole Moment J. Chem. Phys. 1983, 79, 3591-3593 10.1063/1.446188
23. Sun, C. K. J.; Chen, S. H. Tracer Diffusion in Dense Methanol and 2-Propanol up to Supercritical Region: Understanding of Solvent Molecular Association and Development of an Empirical Correlation Ind. Eng. Chem. Res. 1987, 26, 815-819 10.1021/ie00064a033
24. Evans, D. F.; Tominaga, T.; Chan, C. Diffusion of Symmetrical and Spherical Solutes in Protic, Aprotic, and Hydrocarbon Solvents J. Solution Chem. 1979, 8, 461-478 10.1007/BF00716005
25. Sun, C. K. J.; Chen, S. H. Tracer Diffusion of Aromatic Hydrocarbons in Liquid Cyclohexane up to Its Critical Temperature AIChE J. 1985, 31, 1510-1515 10.1002/aic.690310914
26. Chan, T. C.; Chen, N.; Lu, J. G. Diffusion of Disubstituted Aromatic Compounds in Ethanol J. Phys. Chem. A 1998, 102, 9087-9090 10.1021/jp982615c
27. Leffler, J.; Cullinan, H. T., Jr. Variation of Liquid Diffusion Coefficients with Composition. Dilute Ternary Systems Ind. Eng. Chem. Fundam. 1970, 9, 88-93 10.1021/i160033a014
28. Chan, T. C.; Ma, N. L.; Chen, N. The Effects of Molecular Association on Mutual Diffusion in Acetone J. Chem. Phys. 1997, 107, 1890-1895 10.1063/1.474539
29. CRC Handbook of Chemistry and Physics, 92 nd ed.; Haynes, W. M.; Lide, D. R., Eds.; CRC Press: Boca Raton, FL, 2011.
30. Edward, J. T. Molecular Volumes and the Parachor Chem. Ind., London 1956, 774-777
31. Bidlack, D. L.; Kett, T. K.; Kelly, C. M.; Anderson, D. K. Diffusion in the Solvents Hexane and Carbon Tetrachloride J. Chem. Eng. Data 1969, 14, 342-343 10.1021/je60042a028
32. Caldwell, C. S.; Babb, A. L. Diffusion in Ideal Binary Liquid Mixtures J. Phys. Chem. 1956, 60, 51-56 10.1021/j150535a014
33. Collings, A. F.; Mills, R. Temperature-Dependence of Self-Diffusion for Benzene and Carbon Tetrachloride Trans. Faraday Soc. 1970, 66, 2761-2766 10.1039/tf9706602761
34. Kulkarni, M. V.; Allen, G. F.; Lyons, P. A. Diffusion in Carbon Tetrachloride-Cyclohexane Solutions J. Phys. Chem. 1965, 69, 2491-2493 10.1021/j100892a001
35. Dewan, R. K.; Van Holde, K. E. Role of Hydrodynamic Interaction in the Diffusion of n-Alkanes in Carbon Tetrachloride J. Chem. Phys. 1963, 39, 1820-1824 10.1063/1.1734536
36. Longsworth, L. G. The Diffusion of Hydrogen Bonding Solutes in Carbon Tetrachloride J. Colloid Interface Sci. 1966, 22, 3-11 10.1016/0021-9797(66)90060-9
37. Evans, D. F.; Tominaga, T.; Davis, H. T. Tracer Diffusion in Polyatomic Liquids J. Chem. Phys. 1981, 74, 1298-1305 10.1063/1.441190
38. Bidlack, D. L.; Anderson, D. K. Mutual Diffusion in Nonideal, Nonassociating Liquid Systems J. Phys. Chem. 1964, 68, 3790-3794 10.1021/j100794a042
39. 6 at 25° J. Chem. Phys. 1976, 64, 81 10.1063/1.431914
40. Mills, R. The Intradiffusion and Derived Frictional Coefficients for Benzene and Cyclohexane in Their Mixtures at 25° J. Phys. Chem. 1965, 69, 3116-3119 10.1021/j100893a051
41. Rodwin, L.; Harpst, J. A.; Lyons, P. A. Diffusion in the System Cyclohexane¯Benzene J. Phys. Chem. 1965, 69, 2783-2785 10.1021/j100892a503
42. Chen, S. H.; Davis, H. T.; Evans, D. F. Tracer Diffusion in Polyatomic Liquids. II J. Chem. Phys. 1981, 75, 1422-1426 10.1063/1.442148
43. Easteal, A. J.; Woolf, L. A. Solute-Solvent Interaction Effects on Tracer Diffusion Coefficients J. Chem. Soc., Faraday Trans. 1 1984, 80, 1287-1295 10.1039/f19848001287
44. Douglass, D. C.; McCall, D. W. Diffusion in Paraffin Hydrocarbons J. Phys. Chem. 1958, 62, 1102-1107 10.1021/j150567a020
45. Harris, K. R. Temperature and Density Dependence of the Self-diffusion Coefficient of n-Hexane from 223 to 333 K and up to 400 MPa J. Chem. Soc., Faraday Trans. 1 1982, 78, 2265-2274 10.1039/f19827802265
46. Harris, K. R.; Pua, C. K. N.; Dunlop, P. J. Mutual and Tracer Diffusion Coefficients and Frictional Coefficients for the Systems Benzene-chlorobenzene, Benzene-n-hexane, and Benzene-n-heptane at 25° J. Phys. Chem. 1970, 74, 3518-3529 10.1021/j100713a015
47. Dymond, J. H.; Woolf, L. A. Tracer Diffusion of Organic Solutes in n-Hexane at Pressures up to 400 MPa J. Chem. Soc., Faraday Trans. 1 1982, 78, 991-1000 10.1039/f19827800991
48. Chang, P.; Wilke, C. R. Some Measurements of Diffusion in Liquids J. Phys. Chem. 1955, 59, 592-596 10.1021/j150529a005
49. Safi, A.; Nicolas, C.; Neau, E.; Chevalier, J. L. Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Binary Mixtures at 298.15 K J. Chem. Eng. Data 2007, 52, 126-130 10.1021/je060289l
50. Kowert, B. A.; Dang, N. C.; Sobush, K. T.; Seele, L. G., III Diffusion of Aromatic Hydrocarbons in n-Alkanes and Cyclohexanes J. Phys. Chem. A 2001, 105, 1232-1237 10.1021/jp003002e
51. Yaws, C. L. Chemical Properties Handbook; McGraw-Hill: New York, 1999.
52. Walser, R.; Mark, A. E.; van Gunsteren, W. F. On the Validity of Stokes'Law at the Molecular Level Chem. Phys. Lett. 1999, 303, 583-586 10.1016/S0009-2614(99)00266-3
53. Kowert, B. A.; Dang, N. C. Diffusion of Dioxygen in n-Alkanes J. Phys. Chem. A 1999, 103, 779-781 10.1021/jp984025k
54. Kumar, S. K.; Szamel, G.; Douglas, J. F. Nature of the Breakdown in the Stokes-Einstein Relationship in a Hard Sphere Fluid J. Chem. Phys. 2006, 124, 214501 10.1063/1.2192769
55. Bagchi, B.; Bhattacharyya, S. Mode Coupling Theory Approach to the Liquid-State Dynamics Adv. Chem. Phys. 2001, 116, 67-221 10.1002/9780470141762.ch2
56. Hiss, T. G.; Cussler, E. L. Diffusion in High Viscosity Liquids AIChE J. 1973, 19, 698-703 10.1002/aic.690190404
57. Chen, S. H.; Davis, H. T.; Evans, D. F. Tracer Diffusion in Polyatomic Liquids. III J. Chem. Phys. 1982, 77, 2540-2544 10.1063/1.444125
58. Pollack, G. L.; Enyeart, J. J. Atomic Test of the Stokes-Einstein Law. II. Diffusion of Xe through Liquid Hydrocarbons Phys. Rev. A: At., Mol., Opt. Phys. 1985, 31, 980-984 10.1103/PhysRevA.31.980
59. Hayduk, W.; Cheng, S. C. Review of Relation between Diffusivity and Solvent Viscosity in Dilute Liquid Solutions Chem. Eng. Sci. 1971, 26, 635-646 10.1016/0009-2509(71)86007-4
60. Pollack, G. L.; Kennan, R. P.; Himm, J. F.; Stump, D. R. Diffusion of Xenon in Liquid Alkanes: Temperature Dependence Measurements with a New Method. Stokes-Einstein and Hard Sphere Theories J. Chem. Phys. 1990, 92, 625-630 10.1063/1.458413
61. Mapes, M. K.; Swallen, S. F.; Ediger, M. D. Self-Diffusion of Supercooled o-Terphenyl near the Glass Transition Temperature J. Phys. Chem. B 2006, 110, 507-511 10.1021/jp0555955
62. Rajian, J. R.; Huang, W.; Richert, R.; Quitevis, E. L. Enhanced Translational Diffusion of Rubrene in Sucrose Benzoate J. Chem. Phys. 2006, 124, 014510 10.1063/1.2151898
63. Rajian, J. R.; Quitevis, E. L. Translational Diffusion in Sucrose Benzoate near the Glass Transition: Probe Size Dependence in the Breakdown of the Stokes-Einstein Equation J. Chem. Phys. 2007, 126, 224506 10.1063/1.2738474
64. Harris, K. R.; Kanakubo, M.; Tsuchihashi, N.; Ibuki, K.; Ueno, M. Effect of Pressure on the Transport Properties of Ionic Liquids: 1-Alkyl-3-methylimidazolium Salts J. Phys. Chem. B 2008, 112, 9830-9840 10.1021/jp8021375
65. Spohr, H. V.; Patey, G. N. Structural and Dynamical Properties of Ionic Liquids: The Influence of Ion Size Disparity J. Chem. Phys. 2008, 129, 064517 10.1063/1.2968544
66. Harris, K. R. The Fractional Stokes-Einstein Equation: Application to Lennard-Jones, Molecular, and Ionic Liquids J. Chem. Phys. 2009, 131, 054503 10.1063/1.3183951
67. Harris, K. R. The Fractional Stokes-Einstein Equation: Application to Water J. Chem. Phys. 2010, 132, 231103 10.1063/1.3455342
68. Kowert, B. A.; Watson, M. B. Diffusion of Organic Solutes in Squalane J. Phys. Chem. B 2011, 115, 9687-9694 10.1021/jp202937x
69. Singh, C.; Modak, B.; Mondal, J. A.; Palit, D. K. Ultrafast Twisting Dynamics in the Excited State of Auramine J. Phys. Chem. A 2011, 115, 8183-8196 10.1021/jp2020287
70. Harris, K. R. Relations between the Fractional Stokes-Einstein and Nernst-Einstein Equations and Velocity Correlation Coefficients in Ionic Liquids and Molten Salts J. Phys. Chem. B 2010, 114, 9572-9577 10.1021/jp102687r
71. Matthiesen, J.; Smith, R. S.; Kay, B. D. Probing the Mobility of Supercooled Liquid 3-Methylpentane at Temperatures near the Glass Transition Using Rare Gas Permeation J. Chem. Phys. 2012, 137, 064509 10.1063/1.4743902
72. Macanita, A. L.; Zachariasse, K. A. Viscosity Dependence of Intramolecular Excimer Formation with 1,5-Bis(1-pyrenylcarboxy)pentane in Alkane Solvents as a Function of Temperature J. Phys. Chem. A 2011, 115, 3183-3195 10.1021/jp111519s
73. Kowert, B. A.; Watson, M. B.; Dang, N. C. Diffusion of Squalene in n-Alkanes and Squalane J. Phys. Chem. B 2014, 118, 2157-2163 10.1021/jp411471r
74. Das, S. K.; Sahu, P. K.; Sarkar, M. Diffusion-Viscosity Decoupling in Solute Rotation and Solvent Relaxation of Coumarin 153 in Ionic Liquids Containing Fluoroalkylphosphate (FAP) Anion: A Thermophysical and Photophysical Study J. Phys. Chem. B 2013, 117, 636-647 10.1021/jp3101199
75. Ediger, M. D.; Harrowell, P. Perspective: Supercooled Liquids and Glasses J. Chem. Phys. 2012, 137, 080901 10.1063/1.4747326
76. Zwanzig, R.; Harrison, A. K. Modifications of the Stokes-Einstein Formula J. Chem. Phys. 1985, 83, 5861-5862 10.1063/1.449616
77. Bhattacharyya, S.; Bagchi, B. Anomalous Diffusion of Small Particles in Dense Liquids J. Chem. Phys. 1997, 106, 1757-1763 10.1063/1.473316
78. Boon, J. P.; Yip, S. Molecular Hydrodynamics; Dover Publications: New York, 1991.
79. Hynes, J. T.; Kapral, R.; Weinberg, M. Molecular Theory of Translational Diffusion: Microscopic Generalization of the Normal Velocity Boundary Condition J. Chem. Phys. 1979, 70, 1456-1466 10.1063/1.437584
80. Hildebrand, J. H. Motions of Molecules in Liquids: Viscosity and Diffusivity Science 1971, 174, 490-493 10.1126/science.174.4008.490
81. March, N. H. Self-Diffusion Related to Shear Viscosity at the Melting Temperature of Metals J. Chem. Phys. 1984, 80, 5345 10.1063/1.446570