Isotopic effect on phase equilibria of atomic fluids and their mixtures: A direct comparison between molecular simulation and experiment

Ariel A. Chialvo; Juske Horita

doi:10.1063/1.1594178

Isotopic effect on phase equilibria of atomic fluids and their mixtures: A direct comparison between molecular simulation and experiment

Ariel A. Chialvo, Juske Horita

Geosciences

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

14 Scopus citations

Abstract

The reliability of the Lennard-Jones model and its particular parametrization to predict isotopic fractional of noble gases was investigated. Following this, the convergence of the ℏ²-truncated Kirkwood-Wigner expansion (KW) along the solid-vapor equilibrium line of neon was tested. Isotopic fractionations in binary mixtures of noble gases were determined. In the process, it was possible to test the accuracy of some frequently invoked premises in the modeling and interpretation of isotope fractionation.

Original language	English
Pages (from-to)	4458-4467
Number of pages	10
Journal	Journal of Chemical Physics
Volume	119
Issue number	8
DOIs	https://doi.org/10.1063/1.1594178
State	Published - Aug 22 2003

Access to Document

10.1063/1.1594178

Cite this

@article{ae413fe6bb9343d09d6f6d2b985aff4d,

title = "Isotopic effect on phase equilibria of atomic fluids and their mixtures: A direct comparison between molecular simulation and experiment",

abstract = "The reliability of the Lennard-Jones model and its particular parametrization to predict isotopic fractional of noble gases was investigated. Following this, the convergence of the ℏ2-truncated Kirkwood-Wigner expansion (KW) along the solid-vapor equilibrium line of neon was tested. Isotopic fractionations in binary mixtures of noble gases were determined. In the process, it was possible to test the accuracy of some frequently invoked premises in the modeling and interpretation of isotope fractionation.",

author = "Chialvo, {Ariel A.} and Juske Horita",

year = "2003",

month = aug,

day = "22",

doi = "10.1063/1.1594178",

language = "English",

volume = "119",

pages = "4458--4467",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "8",

}

TY - JOUR

T1 - Isotopic effect on phase equilibria of atomic fluids and their mixtures

T2 - A direct comparison between molecular simulation and experiment

AU - Chialvo, Ariel A.

AU - Horita, Juske

PY - 2003/8/22

Y1 - 2003/8/22

N2 - The reliability of the Lennard-Jones model and its particular parametrization to predict isotopic fractional of noble gases was investigated. Following this, the convergence of the ℏ2-truncated Kirkwood-Wigner expansion (KW) along the solid-vapor equilibrium line of neon was tested. Isotopic fractionations in binary mixtures of noble gases were determined. In the process, it was possible to test the accuracy of some frequently invoked premises in the modeling and interpretation of isotope fractionation.

AB - The reliability of the Lennard-Jones model and its particular parametrization to predict isotopic fractional of noble gases was investigated. Following this, the convergence of the ℏ2-truncated Kirkwood-Wigner expansion (KW) along the solid-vapor equilibrium line of neon was tested. Isotopic fractionations in binary mixtures of noble gases were determined. In the process, it was possible to test the accuracy of some frequently invoked premises in the modeling and interpretation of isotope fractionation.

UR - http://www.scopus.com/inward/record.url?scp=0041879945&partnerID=8YFLogxK

U2 - 10.1063/1.1594178

DO - 10.1063/1.1594178

M3 - Article

AN - SCOPUS:0041879945

SN - 0021-9606

VL - 119

SP - 4458

EP - 4467

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 8

ER -

Isotopic effect on phase equilibria of atomic fluids and their mixtures: A direct comparison between molecular simulation and experiment

Abstract

Access to Document

Other files and links

Fingerprint

Cite this