Homogeneous nucleation of n-nonane and n-propanol mixtures: a comparison of classical nucleation theory and experiments

A I Gaman; I Napari; P M Winkler; H Vehkamäki; P E Wagner; R Strey; Y Viisanen; M Kulmala

doi:10.1063/1.2138703

Homogeneous nucleation of n-nonane and n-propanol mixtures: a comparison of classical nucleation theory and experiments

J Chem Phys. 2005 Dec 22;123(24):244502. doi: 10.1063/1.2138703.

Authors

A I Gaman¹, I Napari, P M Winkler, H Vehkamäki, P E Wagner, R Strey, Y Viisanen, M Kulmala

Affiliation

¹ Department of Physical Sciences, University of Helsinki, 00014 Helsinki, Finland. anca.gaman@helsinki.fi

PMID: 16396544
DOI: 10.1063/1.2138703

Abstract

The homogeneous nucleation rates for n-nonane-n-propanol vapor mixtures have been calculated as a function of vapor-phase activities at 230 K using the classical nucleation theory (CNT) with both rigorous and approximate kinetic prefactors and compared to previously reported experimental data. The predicted nucleation rates resemble qualitatively the experimental results for low n-nonane gas phase activity. On the high nonane activity side the theoretical nucleation rates are about three orders of magnitude lower than the experimental data when using the CNT with the approximate kinetics. The accurate kinetics improves the situation by reducing the difference between theory and experiments to two orders of magnitude. Besides the nucleation rate comparison and the experimental and predicted onset activities, the critical cluster composition is presented. The total number of molecules is approximated by CNT with reasonable accuracy. Overall, the classical nucleation theory with rigorous kinetic prefactor seems to perform better. The thermodynamic parameters needed to calculate the nucleation rates are revised extensively. Up-to-date estimates of liquid phase activities using universal functional activity coefficient Dortmund method are presented together with the experimental values of surface tensions obtained in the present study.