Vapour–liquid phase equilibrium and surface tension of fully flexible Lennard–Jones chains

Kevin S. Silmore; Michael P. Howard; Athanassios Z. Panagiotopoulos

doi:10.1080/00268976.2016.1262075

Vapour–liquid phase equilibrium and surface tension of fully flexible Lennard–Jones chains

Kevin S. Silmore, Michael P. Howard, Athanassios Z. Panagiotopoulos

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

65 Scopus citations

Abstract

We report measurements of the vapour–liquid coexistence densities and surface tension of fully flexible Lennard–Jones chain molecules ranging in length from 4 to 60 beads. We demonstrate that the surface tension for all chain lengths collapses to a single master curve when plotted according to the universal parachor correlation. We find a universal parachor exponent 3.79 ± 0.05 for conditions close to the critical point, with a deviation observed for the longest chains far below the critical point.

Original language	English (US)
Pages (from-to)	320-327
Number of pages	8
Journal	Molecular Physics
Volume	115
Issue number	3
DOIs	https://doi.org/10.1080/00268976.2016.1262075
State	Published - Feb 1 2017

All Science Journal Classification (ASJC) codes

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

Keywords

Lennard–Jones chain
corresponding states
parachor
surface tension
vapour–liquid

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10.1080/00268976.2016.1262075

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title = "Vapour–liquid phase equilibrium and surface tension of fully flexible Lennard–Jones chains",

abstract = "We report measurements of the vapour–liquid coexistence densities and surface tension of fully flexible Lennard–Jones chain molecules ranging in length from 4 to 60 beads. We demonstrate that the surface tension for all chain lengths collapses to a single master curve when plotted according to the universal parachor correlation. We find a universal parachor exponent 3.79 ± 0.05 for conditions close to the critical point, with a deviation observed for the longest chains far below the critical point.",

keywords = "Lennard–Jones chain, corresponding states, parachor, surface tension, vapour–liquid",

author = "Silmore, {Kevin S.} and Howard, {Michael P.} and Panagiotopoulos, {Athanassios Z.}",

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AU - Silmore, Kevin S.

AU - Howard, Michael P.

AU - Panagiotopoulos, Athanassios Z.

PY - 2017/2/1

Y1 - 2017/2/1

N2 - We report measurements of the vapour–liquid coexistence densities and surface tension of fully flexible Lennard–Jones chain molecules ranging in length from 4 to 60 beads. We demonstrate that the surface tension for all chain lengths collapses to a single master curve when plotted according to the universal parachor correlation. We find a universal parachor exponent 3.79 ± 0.05 for conditions close to the critical point, with a deviation observed for the longest chains far below the critical point.

AB - We report measurements of the vapour–liquid coexistence densities and surface tension of fully flexible Lennard–Jones chain molecules ranging in length from 4 to 60 beads. We demonstrate that the surface tension for all chain lengths collapses to a single master curve when plotted according to the universal parachor correlation. We find a universal parachor exponent 3.79 ± 0.05 for conditions close to the critical point, with a deviation observed for the longest chains far below the critical point.

KW - Lennard–Jones chain

KW - corresponding states

KW - parachor

KW - surface tension

KW - vapour–liquid

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JO - Molecular Physics

JF - Molecular Physics

IS - 3

ER -

Vapour–liquid phase equilibrium and surface tension of fully flexible Lennard–Jones chains

Abstract

All Science Journal Classification (ASJC) codes

Keywords

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