A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems

In this article we introduce a simple grand canonical screening (GCS) approach to accurately compute vapor pressures from molecular dynamics or Monte Carlo simulations. This procedure entails a screening of chemical potentials using a conventional grand canonical scheme, and therefore it is straight...

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Detalles Bibliográficos
Autor principal:	Molinero, Valeria Paula
Publicado:	2014
Materias:	Molecular dynamics Monte Carlo methods Quantum theory Statistical mechanics Thermodynamics Vapor pressure Coarse-grained Finite-size systems Gibbs ensemble Grand canonical Kelvin equation Nanodroplet Water modeling Hydrostatic pressure
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v140_n6_p_Factorovich http://hdl.handle.net/20.500.12110/paper_00219606_v140_n6_p_Factorovich
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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