Homogeneous Binary Nucleation Theory and the Structure of Binary Nanodroplets

Gerald Wilemski

doi:10.1007/978-1-4020-6475-3_55

Homogeneous Binary Nucleation Theory and the Structure of Binary Nanodroplets

Gerald Wilemski

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

The structure of a critical nucleus or a larger post-critical droplet refers to the spatial distributions of the different chemical species within the droplet. Structure directly affects the free energy of formation of droplets. This has a strong effect on the nucleation rate as well as on the rates of droplet growth and evaporation. Structure also affects how aerosol droplets interact with their environment, influencing phenomena such as heterogeneous chemistry, trace gas adsorbtion and uptake, and the radiative properties of larger droplets. This paper briefly reviews recent advances in understanding the structure of critical nuclei in highly nonideal binary systems. It then focuses on recent theoretical work to predict the structure of larger binary nanodroplets using density functional theory (DFT) and lattice Monte Carlo (MC) simulations of model aqueous-organic mixtures.

Original language	American English
Journal	Proceedings of the 17th International Conference on Nucleation and Atmospheric Aerosols
DOIs	https://doi.org/10.1007/978-1-4020-6475-3_55
State	Published - Jan 1 2007

Keywords

Binary Nucleation
Homogeneous Nucleation
Nanodroplets and Clusters

Disciplines

Physics

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AB - The structure of a critical nucleus or a larger post-critical droplet refers to the spatial distributions of the different chemical species within the droplet. Structure directly affects the free energy of formation of droplets. This has a strong effect on the nucleation rate as well as on the rates of droplet growth and evaporation. Structure also affects how aerosol droplets interact with their environment, influencing phenomena such as heterogeneous chemistry, trace gas adsorbtion and uptake, and the radiative properties of larger droplets. This paper briefly reviews recent advances in understanding the structure of critical nuclei in highly nonideal binary systems. It then focuses on recent theoretical work to predict the structure of larger binary nanodroplets using density functional theory (DFT) and lattice Monte Carlo (MC) simulations of model aqueous-organic mixtures.

KW - Binary Nucleation

KW - Homogeneous Nucleation

KW - Nanodroplets and Clusters

UR - https://scholarsmine.mst.edu/phys_facwork/59

UR - https://doi.org/10.1007/978-1-4020-6475-3_55

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DO - 10.1007/978-1-4020-6475-3_55

M3 - Article

JO - Proceedings of the 17th International Conference on Nucleation and Atmospheric Aerosols

JF - Proceedings of the 17th International Conference on Nucleation and Atmospheric Aerosols

ER -

Homogeneous Binary Nucleation Theory and the Structure of Binary Nanodroplets

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