Imperial College London
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Dr James P. Ewen

Faculty of Engineering, Department of Mechanical Engineering

RAEng Research Fellow
 
 
 
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Contact

 

j.ewen Website

 
 
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Location

 

462City and Guilds BuildingSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Kondratyuk:2020:10.1063/5.0028393,
author = {Kondratyuk, N and Pisarev, V and Ewen, J},
doi = {10.1063/5.0028393},
journal = {Journal of Chemical Physics},
title = {Probing the high-pressure viscosity of hydrocarbon mixtures using molecular dynamics simulations},
url = {http://dx.doi.org/10.1063/5.0028393},
volume = {153},
year = {2020}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Computational predictions of the high-pressure viscosity of hydrocarbon mixtures could help to accelerate the development of fuels and lubricants with improved performance. In this study, we use molecular dynamics simulations to study the viscosity and density of methylcyclohexane, 1-methylnaphthalene, and their binary mixtures at 323 K and pressures of up to 500 MPa. The simulation results are in excellent agreement with previous experiments available up to 100 MPa for both pure compounds (200 MPa for 1-methylnaphthalene) and the binary mixtures. For 1-methylnaphthalene, the viscosity initially increases slower-than-exponential with pressure before it reaches an inflection point and then increases faster-than-exponential. The inflection point (300 MPa) occurs at a pressure slightly below the one at which 1-methylnaphthalene is expected to enter the supercooled phase (400 MPa). For methylcyclohexane, the increase in viscosity with pressure is slower-than-exponential over the entire pressure range studied. The binary mixtures show intermediate pressure–viscosity responses between the two pure cases. The applicability of equations commonly used to describe the pressure dependence of viscosity, as well as the viscosity of binary mixtures, is evaluated against the computational predictions.
AU  - Kondratyuk,N
AU  - Pisarev,V
AU  - Ewen,J
DO  - 10.1063/5.0028393
PY  - 2020///
SN  - 0021-9606
TI  - Probing the high-pressure viscosity of hydrocarbon mixtures using molecular dynamics simulations
T2  - Journal of Chemical Physics
UR  - http://dx.doi.org/10.1063/5.0028393
UR  - http://hdl.handle.net/10044/1/84532
VL  - 153
ER  -
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