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À propos de : Molecular Dynamics Simulation of Heterogeneous Nucleation and Growth of Argon atPolyethylene Films        

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  • Molecular Dynamics Simulation of Heterogeneous Nucleation and Growth of Argon atPolyethylene Films
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  • Heterogeneous nucleation and growth of supersaturated argon vapor at polyethylene surfaces is investigatedusing molecular dynamics simulation. The specific system is chosen as model for high wettable systems. Thesimulations are conducted in a nonequilibrium ensemble which includes heat transfer during the condensationprocess. Temporary density and temperature gradients are developed in the vapor phase. The gradual transitionfrom nearly adsorption behavior close to the binodal to heterogeneous nucleation of a metastable vapor isinvestigated by stepwise varying the initial saturation of the vapor. By increasing the supersaturation alongan isotherm a continuous transition from the layer-by-layer growth to the islands-on-layers one is observed.The results are compared to classical nucleation theory for the heterogeneous two- and three-dimensionalgrowth models. We find for this system that a two-dimensional version of the classical heterogeneous nucleationtheory is most suitable to describe the nucleation rate data vs saturation obtained from simulation over a widerange of supersaturation.
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