Imperial College London
Portrait Picture

ProfessorVelisaVesovic

Faculty of Engineering, Department of Earth Science & Engineering

Professor of Transport Phenomena
 
 
 
//

Contact

 

+44 (0)20 7594 7352v.vesovic

 
 
//

Location

 

2.33Royal School of MinesSouth Kensington Campus

//

Summary

 

Publications

Citation

BibTex format

@article{Hellmann:2016:10.1063/1.4945014,
author = {Hellmann, R and Bich, E and Vesovic, V},
doi = {10.1063/1.4945014},
journal = {Journal of Chemical Physics},
title = {Calculation of the thermal conductivity of low-density CH4-N2 gas mixtures using an improved kinetic theory approach},
url = {http://dx.doi.org/10.1063/1.4945014},
volume = {144},
year = {2016}
}
Download

RIS format (EndNote, RefMan)

TY  - JOUR
AB  - The thermal conductivity of low-density CH4–N2 gas mixtures has been calculated bymeans of the classical trajectory method using state-of-the-art intermolecular potentialenergy surfaces for the CH4–CH4, N2–N2, and CH4–N2 interactions. Results arereported in the temperature range from 70 K to 1200 K. Since the thermal conductivityis influenced by the vibrational degrees of freedom of the molecules, which are notincluded in the rigid-rotor classical trajectory computations, a new correction schemeto account for vibrational degrees of freedom in a dilute gas mixture is presented.The calculations show that the vibrational contribution at the highest temperaturestudied amounts to 46% of the total thermal conductivity of an equimolar mixturecompared to 13% for pure nitrogen and 58% for pure methane. The agreementwith the available experimental thermal conductivity data at room temperature isgood, within ±1.4%, whereas at higher temperatures larger deviations up to 4.5%are observed, which can be tentatively attributed to deteriorating performance ofthe measuring technique employed. Results are also reported for the magnitude andtemperature dependence of the rotational collision number, Zrot, for CH4 relaxing incollisions with N2 and N2 relaxing in collisions with CH4. Both collision numbersincrease with temperature, with the former being consistently about twice the valueof the latter.
AU  - Hellmann,R
AU  - Bich,E
AU  - Vesovic,V
DO  - 10.1063/1.4945014
PY  - 2016///
SN  - 1089-7690
TI  - Calculation of the thermal conductivity of low-density CH4-N2 gas mixtures using an improved kinetic theory approach
T2  - Journal of Chemical Physics
UR  - http://dx.doi.org/10.1063/1.4945014
UR  - http://hdl.handle.net/10044/1/30426
VL  - 144
ER  -
Download