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Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures

Journal Article (2018)
Author(s)

M Ramdin (TU Delft - Engineering Thermodynamics)

Seyed Hossein Jamali (TU Delft - Engineering Thermodynamics)

TM Becker (TU Delft - Engineering Thermodynamics)

T. J.H. Vlugt (TU Delft - Engineering Thermodynamics)

Research Group
Engineering Thermodynamics
Copyright
© 2018 M. Ramdin, S.H. Jamali, T. Becker, T.J.H. Vlugt
DOI related publication
https://doi.org/10.1080/08927022.2017.1387656
More Info
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Publication Year
2018
Language
English
Copyright
© 2018 M. Ramdin, S.H. Jamali, T. Becker, T.J.H. Vlugt
Research Group
Engineering Thermodynamics
Issue number
5
Volume number
44
Pages (from-to)
377-383
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Abstract

Vapour–liquid equilibrium (VLE) and volumetric data of multicomponent mixtures are extremely important for natural gas production and processing, but it is time consuming and challenging to experimentally obtain these properties. An alternative tool is provided by means of molecular simulation. Here, Monte Carlo (MC) simulations in the Gibbs ensemble are used to compute the VLE of multicomponent natural gas mixtures. Two multicomponent systems, one containing a mixture of six components ((Formula presented.), (Formula presented.), (Formula presented.), (Formula presented.)S, (Formula presented.)(Formula presented.) and (Formula presented.)(Formula presented.)), and the other containing a mixture of nine components ((Formula presented.), (Formula presented.), (Formula presented.), (Formula presented.)S, (Formula presented.)(Formula presented.), (Formula presented.)(Formula presented.), (Formula presented.)(Formula presented.), (Formula presented.)(Formula presented.) and (Formula presented.)(Formula presented.)) are simulated. The computed VLE from the MC simulations is in good agreement with available experimental data and the GERG-2008 equation of state modelling. The results show that molecular simulation can be used to predict properties of multicomponent systems relevant for the natural gas industry. Guidelines are provided to setup Gibbs ensemble simulations for multicomponent systems, which is a challenging task due to the increased number of degrees of freedom.