Imperial College London
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ProfessorVelisaVesovic

Faculty of Engineering, Department of Earth Science & Engineering

Professor of Transport Phenomena
 
 
 
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Contact

 

+44 (0)20 7594 7352v.vesovic

 
 
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Location

 

2.33Royal School of MinesSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Castro-Palacio:2016:10.1080/00268976.2016.1222456,
author = {Castro-Palacio, JC and Hellmann, R and Vesovic, V},
doi = {10.1080/00268976.2016.1222456},
journal = {Molecular Physics},
pages = {3171--3182},
title = {Dilute gas viscosity of n-alkanes represented by rigid Lennard-Jones chains},
url = {http://dx.doi.org/10.1080/00268976.2016.1222456},
volume = {114},
year = {2016}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - The shear viscosity in the dilute gas limit has been calculated by means of the classical trajectory methodfor a gas consisting of chain-like molecules. The molecules were modelled as rigid chains made up ofspherical segments that interact through a combination of site-site Lennard-Jones 12-6 potentials. Resultsare reported for chains consisting of 2, 3, 4, 6, 8, 12 and 16 segments in the reduced temperature range of0.3 – 50 for site-site separations of 0.25    , 0.333    , 0.40    , 0.60     and 0.80    , where      is the Lennard-Joneslength scaling parameter. The results were used to determine the shear viscosity of n-alkanes in the zerodensitylimit by representing an n-alkane molecule as a rigid linear chain consisting of     c − 1 sphericalsegments, where     c is the number of carbon atoms. We show that for a given n-alkane molecule, thescaling parameters ε and σ are not unique and not transferable from one molecule to another. Thecommonly used site-site Lennard-Jones 12-6 potential in combination with a rigid-chain molecularrepresentation can only accurately mimic the viscosity if the scaling parameters are fitted. If the scalingparameters are estimated from the scaling parameters of other n-alkanes, the predicted viscosity valueshave an unacceptably high uncertainty.
AU  - Castro-Palacio,JC
AU  - Hellmann,R
AU  - Vesovic,V
DO  - 10.1080/00268976.2016.1222456
EP  - 3182
PY  - 2016///
SN  - 0026-8976
SP  - 3171
TI  - Dilute gas viscosity of n-alkanes represented by rigid Lennard-Jones chains
T2  - Molecular Physics
UR  - http://dx.doi.org/10.1080/00268976.2016.1222456
UR  - http://hdl.handle.net/10044/1/38901
VL  - 114
ER  -
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