On the probability of nucleation at the surface of freezing drops.

作者: Giles W. Turner , Lawrence S. Bartell

DOI: 10.1021/JP058098X

关键词: SupercoolingThermodynamicsMolecular dynamicsNucleationDrop (liquid)Model systemChemistry

摘要: Recent publications have proposed that nucleation in the freezing of supercooled drops occurs at drop surface, an idea supported by statistical thermodynamic arguments Cahn [J. Chem. Phys. 1977, 66, 3667] coupled with Tabazadeh et al. [Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 15873]. Whether this phenomenon is general examined molecular dynamics simulations deeply liquid clusters SeF6. It found for model system while not infrequently it more often takes place interior. The probability surface increases depth supercooling. How relates to theories and discussed briefly.

参考文章(24)
Nucleation and Atmospheric Aerosols Nucleation and Atmospheric Aerosols. ,(2007) , 10.1007/978-1-4020-6475-3
Michael Elbaum, S.G. Lipson, J.G. Dash, Optical study of surface melting on ice Journal of Crystal Growth. ,vol. 129, pp. 491- 505 ,(1993) , 10.1016/0022-0248(93)90483-D
Lawrence S. Bartell, Capillary waves and diffuse surface layers of clusters and drops Surface Science. ,vol. 397, pp. 217- 224 ,(1998) , 10.1016/S0039-6028(97)00738-3
P. Taborek, Nucleation in emulsified supercooled water. Physical Review B. ,vol. 32, pp. 5902- 5906 ,(1985) , 10.1103/PHYSREVB.32.5902
Gilles Tarjus, Daniel Kivelson, BREAKDOWN OF THE STOKES-EINSTEIN RELATION IN SUPERCOOLED LIQUIDS Journal of Chemical Physics. ,vol. 103, pp. 3071- 3073 ,(1995) , 10.1063/1.470495
Lawrence S. Bartell, Giles W. Turner, Transient Nucleation: Computer Simulation vs Theoretical Inference† Journal of Physical Chemistry B. ,vol. 108, pp. 19742- 19747 ,(2004) , 10.1021/JP0403902
Jinfan Huang, Lawrence S. Bartell, Molecular Dynamics Simulation of Nucleation in the Freezing of Molten Potassium Iodide Clusters Journal of Physical Chemistry A. ,vol. 106, pp. 2404- 2409 ,(2002) , 10.1021/JP0142381
Lawrence S. Bartell, Yaroslav G. Chushak, Jinfan Huang, Peculiarities of nucleation in large, deeply supercooled liquid clusters Atmospheric Research. ,vol. 65, pp. 153- 160 ,(2003) , 10.1016/S0169-8095(02)00147-3
Yaroslav G. Chushak, Lawrence S. Bartell, Freezing of Ni-Al bimetallic nanoclusters in computer simulations Journal of Physical Chemistry B. ,vol. 107, pp. 3747- 3751 ,(2003) , 10.1021/JP022510G