Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall Energy

Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall Energy

We have examined the triple points of Lennard-Jones methane confined in slit-shaped nanopores, i.e. nanopores with zero excess potential energy, using a molecular dynamics technique developed by us in a previous study. The critical condensates in the pores were cooled in a stepwise manner and the tr...

Full description

Bibliographic Details
Main Authors: Hideki Kanda, Minoru Miyahara
Format: Article
Language:English
Published: Hindawi - SAGE Publishing 2009-10-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1260/0263-6174.27.8.734
id doaj-c5a07a703fd44ba79cfedec5beaae468
record_format Article
spelling doaj-c5a07a703fd44ba79cfedec5beaae4682021-04-02T10:55:58ZengHindawi - SAGE PublishingAdsorption Science & Technology0263-61742048-40382009-10-012710.1260/0263-6174.27.8.734Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall EnergyHideki Kanda0Minoru Miyahara1 Energy Engineering Research Laboratory, Central Research Institute of Electric Power Industry, Kanagawa 240-0196, Japan Department of Chemical Engineering, Kyoto University, Kyoto 615-8510, JapanWe have examined the triple points of Lennard-Jones methane confined in slit-shaped nanopores, i.e. nanopores with zero excess potential energy, using a molecular dynamics technique developed by us in a previous study. The critical condensates in the pores were cooled in a stepwise manner and the triple points determined for different pore sizes. We observed that the triple point temperature was inversely related to the pore size, identical to the Gibbs–Thomson equation. Whilst the Gibbs–Thomson equation requires adjustable parameters, our triple point model could predict the pressure and temperature without the need for such parameters. As a consequence, our model demonstrates a higher degree of generalization than the Gibbs–Thomson equation.https://doi.org/10.1260/0263-6174.27.8.734
collection DOAJ
language English
format Article
sources DOAJ
author Hideki Kanda
Minoru Miyahara
spellingShingle Hideki Kanda
Minoru Miyahara
Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall Energy
Adsorption Science & Technology
author_facet Hideki Kanda
Minoru Miyahara
author_sort Hideki Kanda
title Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall Energy
title_short Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall Energy
title_full Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall Energy
title_fullStr Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall Energy
title_full_unstemmed Triple Point of a Lennard-Jones Fluid in Nanopores with Zero Excess Pore Wall Energy
title_sort triple point of a lennard-jones fluid in nanopores with zero excess pore wall energy
publisher Hindawi - SAGE Publishing
series Adsorption Science & Technology
issn 0263-6174
2048-4038
publishDate 2009-10-01
description We have examined the triple points of Lennard-Jones methane confined in slit-shaped nanopores, i.e. nanopores with zero excess potential energy, using a molecular dynamics technique developed by us in a previous study. The critical condensates in the pores were cooled in a stepwise manner and the triple points determined for different pore sizes. We observed that the triple point temperature was inversely related to the pore size, identical to the Gibbs–Thomson equation. Whilst the Gibbs–Thomson equation requires adjustable parameters, our triple point model could predict the pressure and temperature without the need for such parameters. As a consequence, our model demonstrates a higher degree of generalization than the Gibbs–Thomson equation.
url https://doi.org/10.1260/0263-6174.27.8.734
work_keys_str_mv AT hidekikanda triplepointofalennardjonesfluidinnanoporeswithzeroexcessporewallenergy
AT minorumiyahara triplepointofalennardjonesfluidinnanoporeswithzeroexcessporewallenergy
_version_ 1724166250181951488

Similar Items