Imperial College London
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Dr Saif Z. S. Al Ghafri

Faculty of Engineering, Department of Chemical Engineering

Honorary Research Fellow
 
 
 
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Contact

 

+44 (0)20 7594 1227saif.al-ghafri06

 
 
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Location

 

231ACE ExtensionSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Xiao:2021:10.1063/5.0065786,
author = {Xiao, X and Trusler, JPM and Yang, X and Thol, M and Al, Ghafri SZS and Rowland, D and May, EF},
doi = {10.1063/5.0065786},
journal = {Journal of Physical and Chemical Reference Data},
pages = {1--25},
title = {Equation of state for solid benzene valid for temperatures up to 470 K and pressures up to 1800 MPa},
url = {http://dx.doi.org/10.1063/5.0065786},
volume = {50},
year = {2021}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - The thermodynamic property data for solid phase I of benzene are reviewed and utilized to develop a new fundamental equation of state (EOS) based on Helmholtz energy, following the methodology used for solid phase I of CO2 by Trusler [J. Phys. Chem. Ref. Data 40, 043105 (2011)]. With temperature and molar volume as independent variables, the EOS is able to calculate all thermodynamic properties of solid benzene at temperatures up to 470 K and at pressures up to 1800 MPa. The model is constructed using the quasi-harmonic approximation, incorporating a Debye oscillator distribution for the vibrons, four discrete modes for the librons, and a further 30 distinct modes for the internal vibrations of the benzene molecule. An anharmonic term is used to account for inevitable deviations from the quasi-harmonic model, which are particularly important near the triple point. The new EOS is able to describe the available experimental data to a level comparable with the likely experimental uncertainties. The estimated relative standard uncertainties of the EOS are 0.2% and 1.5% for molar volume on the sublimation curve and in the compressed solid region, respectively; 8%–1% for isobaric heat capacity on the sublimation curve between 4 K and 278 K; 4% for thermal expansivity; 1% for isentropic bulk modulus; 1% for enthalpy of sublimation and melting; and 3% and 4% for the computed sublimation and melting pressures, respectively. The EOS behaves in a physically reasonable manner at temperatures approaching absolute zero and also at very high pressures.
AU  - Xiao,X
AU  - Trusler,JPM
AU  - Yang,X
AU  - Thol,M
AU  - Al,Ghafri SZS
AU  - Rowland,D
AU  - May,EF
DO  - 10.1063/5.0065786
EP  - 25
PY  - 2021///
SN  - 0047-2689
SP  - 1
TI  - Equation of state for solid benzene valid for temperatures up to 470 K and pressures up to 1800 MPa
T2  - Journal of Physical and Chemical Reference Data
UR  - http://dx.doi.org/10.1063/5.0065786
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000719722700001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - https://aip.scitation.org/doi/10.1063/5.0065786
UR  - http://hdl.handle.net/10044/1/98661
VL  - 50
ER  -
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