Artículo
Study of nanoconfined mixtures of decane and water: Structure and dynamic
Fecha de publicación:
15/12/2019
Editorial:
Elsevier Science
Revista:
Fluid Phase Equilibria
ISSN:
0378-3812
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
In the last years, the phase behaviour of multi-component hydrocarbon systems in shale reservoirs has received significant attention. The main complexities in modelling the phase behaviour is the confinement. It is presented in this work, the results obtained by molecular dynamics simulation in the NPT ensemble of n-decane/water liquid mixture confined in an amorphous hydrophobic nanometric tube. Nanotube walls are made up of a Lennard-Jones binary mixture similar to a Kob-Andersen system. As it happens in a macroscopic flow of biphasic fluid, a transition from drop to a thread is observed in this confined system when increasing water molar fraction. Different values of the water tetrahedral bond distribution, water density profiles, and the mean square-displacement of water were found for a drop to a thread transition. The calculated quantities, substantially differ from those corresponding to the bulk system.
Palabras clave:
BINARY MIXTURE
,
HYDROPHOBIC AND AMORPHOUS NANOCONFINEMENT
,
N-DECANE
,
WATER
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Colecciones
Articulos(IFLYSIB)
Articulos de INST.FISICA DE LIQUIDOS Y SIST.BIOLOGICOS (I)
Articulos de INST.FISICA DE LIQUIDOS Y SIST.BIOLOGICOS (I)
Citación
Meyra, Ariel German; Ferrara, Carlos Gaston; Study of nanoconfined mixtures of decane and water: Structure and dynamic; Elsevier Science; Fluid Phase Equilibria; 502; 112279; 15-12-2019; 1-6
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