TITLE

Temperature dependence of droplet nucleation in a Yukawa fluid

AUTHOR(S)
Li, Jin-Song; Wilemski, Gerald
PUB. DATE
February 2003
SOURCE
Journal of Chemical Physics;2/8/2003, Vol. 118 Issue 6, p2845
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We have studied the temperature dependence of gas-to-liquid nucleation in Yukawa fluids with gradient theory and density functional theory. Each of these nonclassical theories exhibits a weaker (i.e., better) temperature dependence than classical nucleation theory. At fixed temperature, the reversible work to form a critical nucleus found from gradient theory approaches the value given by density functional theory as the supersaturation increases. At high temperatures, the two theories remain quite close over a wide range of vapor densities. As the temperature is reduced, the difference between the two theories increases with decreasing vapor density. Compared to the classical theory we find that gradient theory can improve the predicted temperature dependence of the nucleation rate, although not always to the same degree as density functional theory. Finally, our results show that the scaling behavior of density functional theory proposed by McGraw and Laaksonen can be extended to higher temperatures if the incompressibility assumption is avoided when evaluating the classical reversible work.
ACCESSION #
8989050

 

Related Articles

  • Nucleation in n-alkanes: A density-functional approach. Chaok Seok; Oxtoby, David W. // Journal of Chemical Physics;11/8/1998, Vol. 109 Issue 18, p7982 

    Examines the application of density functional theory for the gas-liquid nucleation in n-butane and n-heptane. Use of interaction site model and rotational isomeric state approximation; Effects of chain length and flexibility on equilibrium properties and nucleation; Impact of spherically...

  • Nucleation in the presence of an amphiphile: A density functional approach. Talanquer, V.; Oxtoby, David W. // Journal of Chemical Physics;3/1/1997, Vol. 106 Issue 9, p3673 

    Applies density functional therapy to the study of gas-to-liquid nucleation in binary and ternary mixtures with one amphiphilic component. Evaluation of density profiles and molecular orientation distributions in the critical nucleus; Predicted cluster compositions for binary and ternary systems.

  • Thermal nucleation and cavitation in helium-3 fluids. Zeng, X. C.; Oxtoby, D. W.; Cheng, E. // Journal of Chemical Physics;3/8/1996, Vol. 104 Issue 10, p3726 

    We have investigated droplet nucleation and bubble cavitation in the quantum fluid helium-3 based on a nonlocal density-functional approach. A marked effect of droplet (or bubble) curvature on the rate of droplet nucleation or cavitation has been found. Without considering this curvature effect...

  • First-order correction to classical nucleation theory: A density functional approach. Barrett, Jonathan // Journal of Chemical Physics;10/1/1999, Vol. 111 Issue 13, p5938 

    Studies the first-order correction to classical nucleation theory using a density functional approach. Correlation functions and density profile of the planar surface; Equivalence of two expressions in the low density limit; Effect of using a weighted density approximation in place of the local...

  • Diffusion in supersaturated solutions: Application to the case of supersaturated protein solutions. Izmailov, Alexander F.; Myerson, Allan S. // Journal of Chemical Physics;3/1/2000, Vol. 112 Issue 9 

    The derivation of solute diffusion coefficient from the quasiequilibrium probability density function of the underlying stochastic quantity-characteristic size of subcritical solute clusters, was carried out within the classical formalism of metastable state relaxation (nucleation). It has been...

  • Density-functional studies of amphiphilic binary mixtures. II. Gas-liquid nucleation. Napari, Ismo; Laaksonen, Ari; Strey, Reinhard // Journal of Chemical Physics;9/8/2000, Vol. 113 Issue 10 

    Density-functional theory is applied to study gas-liquid nucleation in binary mixtures consisting of Lennard-Jones atoms with hard-spherical cores (monomers) and bonded Lennard-Jones atoms of two (dimers) or three (trimers) hard spheres. Mixtures with and without amphiphiles are compared. In...

  • Density-functional study of homogeneous bubble nucleation in the stretched Lennard-Jones fluid. Shen, Vincent K.; Debenedetti, Pablo G. // Journal of Chemical Physics;3/1/2001, Vol. 114 Issue 9 

    Density-functional theory is used to study homogeneous bubble nucleation in the stretched Lennard-Jones liquid. We show that the ratio of density-functional to classical nucleation theory free energy barriers should scale with the quantity Δμ/Δμ[sub spin], the difference in...

  • Density functional theory of nucleation: A semiempirical approach. Nyquist, Rebecca M.; Talanquer, Vicente; Oxtoby, David W. // Journal of Chemical Physics;7/15/1995, Vol. 103 Issue 3, p1175 

    We present a semiempirical approach to the density functional theory of gas–liquid nucleation, in which the same experimental properties used in classical nucleation theory (equilibrium vapor pressure, liquid density, and surface tension) are used to fit three adjustable parameters in the...

  • Ion-induced nucleation. II. Polarizable multipolar molecules. Kusaka, I.; Wang, Z.-G.; Seinfeld, J. H. // Journal of Chemical Physics;11/22/1995, Vol. 103 Issue 20, p8993 

    Density functional theory is applied to ion-induced nucleation of polarizable multipolar molecules. The asymmetric nature of the ion–molecule interaction is shown to cause the sign preference in ion-induced nucleation. When the ion–molecule interaction is weak, the observed sign...

Share

Read the Article

Courtesy of NEW JERSEY STATE LIBRARY

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics