IFEG 20353
INSTITUTO DE FISICA ENRIQUE GAVIOLA
Unidad Ejecutora - UE
artículos
Título:
On the uptake of ammonia by the water/vapor interface
Autor/es:
MARCELO A. CARIGNANO; MARÍA M. JACOB; ELDO E. AVILA
Revista:
JOURNAL OF PHYSICAL CHEMISTRY
Editorial:
AMERICAN CHEMICAL SOCIETY
Referencias:
Año: 2008 vol. 112 p. 3676 - 3679
ISSN:
0022-3654
Resumen:
Title: On the Uptake of Ammonia by the Water/Vapor InterfaceAbstract: The passage of a
single ammonia molecule from an infinitely dilute gas through the water/vapor
interface is studied by constrained molecular dynamics simulations. The free energy of the system as
a function of the distance between the ammonia and the interface has a minimum
in the interfacial region. It is found that the preference of the ammonia for
the interface is mainly due the disruption of the solvent structure caused by the
ammonia in the bulk region, which results in an increase of the solvent
internal energy.
