Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures

Title

Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures

 Author

Ramdin, M. (TU Delft Engineering Thermodynamics) ORCID 0000-0002-8476-7035
Jamali, S.H. (TU Delft Engineering Thermodynamics) ORCID 0000-0002-4198-0901
Becker, T. (TU Delft Engineering Thermodynamics) ORCID 0000-0002-6601-4320
Vlugt, T.J.H. (TU Delft Engineering Thermodynamics) ORCID 0000-0003-3059-8712

 Date

2018

 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.


 Subject

Gibbs ensemble
molecular simulation
multicomponent VLE
natural gas

 To reference this document use:

http://resolver.tudelft.nl/uuid:084d6e37-1419-40cf-9fbc-d6c7ff2c884b

 DOI

https://doi.org/10.1080/08927022.2017.1387656

 ISSN

0892-7022

 Source

Molecular Simulation, 44 (5), 377-383

 Part of collection

Institutional Repository

 Document type

journal article

 Rights

© 2018 M. Ramdin, S.H. Jamali, T. Becker, T.J.H. Vlugt
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