Temperature Dependence of a Kelvin Model for Binary Nucleation

• Published in: The journal of physical chemistry. B Vol. 105; no. 47; pp. 11778 - 11784
• Main Authors: Li, Jin-Song, Wilemski, Gerald
• Format: Journal Article
• Language: English
• Published: American Chemical Society 29-11-2001
• ISSN: 1520-6106; 1520-5207
• DOI: 10.1021/jp011690b

The temperature dependence of binary nucleation rates was studied using several different models for the cluster evaporation rates. The evaporation rates were found using the detailed balance relations in combination with three different models for the constrained equilibrium cluster concentrations:  the classical Reiss model, the self-consistent classical model of Wilemski and Wyslouzil, and the new Kelvin model. The latter two models are modifications of the classical liquid droplet expression for the equilibrium cluster concentrations. The steady state binary kinetics equations were numerically solved using the technique of matrix inversion by patitioning. Numerous test calculations were made for the ideal ethanol−hexanol system. We found that the Kelvin model gave the most realistic temperature dependence of the three models examined. An analytical rate expression that accurately reproduces the numerical results is also presented.