title: Stability and Vapor Pressure of Aqueous Aggregates and Aerosols Containing a Monovalent Ion.
abstract: The incidence of charged particles on the nucleation and the stability of aqueous aggregates and aerosols was reported more than a century ago. Many studies have been conducted ever since to characterize the stability, structure, and nucleation barrier of ion-water droplets. Most of these studies have focused on the free-energy surface as a function of cluster size, with an emphasis on the role of ionic charge and radius. This knowledge is fundamental to go beyond the rudimentary ion-induced classical nucleation theory. In the present article, we address this problem from a different perspective, by computing the vapor pressures of (H2O)nLi+and (H2O)nCl-aggregates using molecular simulations. Our calculations shed light on the structure, the critical size, the range of stability, and the role of ion-water interactions in aqueous clusters. Moreover, they allow one to assess the accuracy of the classical thermodynamic model, highlighting its strengths and weaknesses.
authors.affiliation: Departamento de Química Inorgánica, Analítica y Química Física/INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires , Ciudad Universitaria, Pab. II, Buenos Aires C1428EHA, Argentina.
authors.forename: Yamila A
authors.initials: YA
authors.lastname: Perez Sirkin
authors.affiliation: Departamento de Química Inorgánica, Analítica y Química Física/INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires , Ciudad Universitaria, Pab. II, Buenos Aires C1428EHA, Argentina.
authors.forename: Matías H
authors.initials: MH
authors.lastname: Factorovich
authors.affiliation: Department of Chemistry, The University of Utah , 315 South 1400 East, Salt Lake City, Utah 84112-0850, United States.
authors.forename: Valeria
authors.identifier: http://orcid.org/0000-0002-8577-4675
authors.initials: V
authors.lastname: Molinero
authors.affiliation: Departamento de Química Inorgánica, Analítica y Química Física/INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires , Ciudad Universitaria, Pab. II, Buenos Aires C1428EHA, Argentina.
authors.forename: Damián A
authors.identifier: http://orcid.org/0000-0002-0588-287X
authors.initials: DA
authors.lastname: Scherlis