Abstract
The thermodynamic properties of pure water clusters and aqueous aggregates with either CO or CO2 molecule were calculated by the molecular dynamics method. The resulting size dependence of the surface tension of the clusters was used to determine the size of the critical seeds. The rate of homogeneous and binary nucleation in atmospheric air was estimated. The role of polar and nonpolar impurity molecules at the initial stage of steam condensation is discussed.
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Galashev, A.E., Chukanov, V.N. & Pozharskaya, G.I. Application of Molecular Dynamic Simulation of Water Clusters with CO and CO2 Molecules to Binary Nucleation Problems. Journal of Structural Chemistry 43, 449–457 (2002). https://doi.org/10.1023/A:1020389116424
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DOI: https://doi.org/10.1023/A:1020389116424