TITLE

On the cluster compositions in the classical binary nucleation theory

AUTHOR(S)
Laaksonen, Ari; Kulmala, Markku; Wagner, Paul E.
PUB. DATE
November 1993
SOURCE
Journal of Chemical Physics;11/1/1993, Vol. 99 Issue 9, p6832
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The classical binary nucleation theory is considered. It is shown that as a consequence of the Gibbs–Duhem equation and the Gibbs adsorption isotherm, an equation emerges which can be used together with the interior (bulk) mole fraction and radius of the critical cluster given by the theory to calculate the total numbers of molecules of both species in the cluster. Accordingly the overall (average) composition of the critical cluster is determined. Furthermore, it is noted that it is possible to use this equation to determine the interior (bulk) mole fraction of any sufficiently large spherical cluster with known total numbers of molecules, which allows the construction of a free energy surface within the framework of the classical nucleation theory. However, numerical calculations for the water–ethanol system result in strange predictions at some typical experimental conditions. Possible reasons for the unsuccessful predictions by the classical theory are discussed.
ACCESSION #
7619649

 

Related Articles

  • Binary nucleation kinetics: A matrix method. Vehkamäki, Hanna; Paatero, Pentti; Kulmala, Markku; Laaksonen, Ari // Journal of Chemical Physics;12/1/1994, Vol. 101 Issue 11, p9997 

    The kinetics of binary nucleation is investigated and an exact method to evaluate the nucleation rate is developed. The exact method accounts for all flows to the stable clusters, and thus the nucleation rate is obtained independently of determining the location of the saddle point in the Gibbs...

  • Sensitivity of nucleation phenomena on range of interaction potential. Singh, Rakesh S.; Santra, Mantu; Bagchi, Biman // Journal of Chemical Physics;2/28/2012, Vol. 136 Issue 8, p084701 

    Theoretical and computational investigations of nucleation have been plagued by the sensitivity of the phase diagram to the range of the interaction potential. As the surface tension depends strongly on the range of interaction potential and as the classical nucleation theory (CNT) predicts the...

  • Statistical mechanics of the single occupancy system. II. Jhung, Kwang Hwa Chung; Jhung, Kyu Soo // Journal of Chemical Physics;7/1/1988, Vol. 89 Issue 1, p504 

    The formal exact solutions of the cluster variation method applied to the single occupancy system have been obtained. The reduced distribution functions and free energy expression turn out to be exactly the same as the Born–Green–Yvon (BGY) solutions, thus implying the cluster...

  • The significance of cluster lifetime in nucleation theory. Barrett, Jonathan C. // Journal of Chemical Physics;5/22/2002, Vol. 116 Issue 20, p8856 

    Collisions between vapor monomers and small clusters may create short-lived states that will decay before undergoing equilibriating collisions with other (vapor or gas) molecules. As the vapor pressure (and hence the number of monomer–cluster collisions) increases, the number of such...

  • A model for the nucleation of diamond clusters on Si(111) substrates. Mahalingam, Pushpa; Liu, Huimin; Dandy, David S. // Journal of Applied Physics;2/15/1997, Vol. 81 Issue 4, p1966 

    A theoretical study of the nucleation, size, and structure of diamond phase carbon clusters on Si(111) substrates is presented. Molecular mechanics analysis has been utilized to predict energetically and entropically feasible pathways for nucleation of the carbon clusters. Several mechanistic...

  • Number of clusters formed in nucleation-growth processes. Slezov, V. V.; Schmelzer, J.; Tkatch, Ya. Y. // Journal of Chemical Physics;11/8/1996, Vol. 105 Issue 18, p8340 

    The number of clusters, N, formed in nucleation-growth processes in first-order phase transformations, and their average size, , at the end of the stage of independent growth of the supercritical clusters are determined analytically. It is shown that the number of clusters, N, depends only on...

  • Molecular dynamics of homogeneous nucleation in the vapor phase. I. Lennard-Jones fluid. Yasuoka, Kenji; Matsumoto, Mitsuhiro // Journal of Chemical Physics;11/15/1998, Vol. 109 Issue 19, p8451 

    Investigates the dynamics of vapor phase homogeneous nucleation in Lennard-Jones fluid clusters. Description of nucleation process simulation method; Thermodynamic properties of the fluid system; Analyses of cluster size and nucleation rate; Model calculation of cluster size change;...

  • Kinetics of heterogeneous nucleation for low mean cluster populations. Bhatt, Jayesh S.; Ford, Ian J. // Journal of Chemical Physics;2/15/2003, Vol. 118 Issue 7, p3166 

    The process of nucleation is normally described using rate equations for the mean populations of molecular clusters. This approach can be justified for cases where these mean populations are large. However, it may be unsuitable in the case of heterogeneous nucleation on small particles if the...

  • Clustering and nucleation in supersaturated regular solutions. Rasmussen, D. H. // Journal of Chemical Physics;8/15/1986, Vol. 85 Issue 4, p2277 

    The energetics of cluster formation is evaluated for a supersaturated binary liquid–liquid system. Regular solution thermodynamics are combined with dynamic surface tension evaluation to determine cluster stability. The composition and size of the critical nucleus is predicted for several...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

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

Try another library?
Sign out of this library

Other Topics