NDLI: Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures

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Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures

Content Provider	Scilit
Author	Ramdin, M. Jamali, S. H. Becker, T. M. Vlugt, T. J. H.
Copyright Year	2017
Description	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 ( , , , S, and ), and the other containing a mixture of nine components ( , , , S, , , , and ) 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.
Related Links	https://www.tandfonline.com/doi/pdf/10.1080/08927022.2017.1387656?needAccess=true
Ending Page	383
Page Count	7
Starting Page	377
ISSN	08927022
e-ISSN	10290435
DOI	10.1080/08927022.2017.1387656
Journal	Molecular Simulation
Issue Number	5
Volume Number	44
Language	English
Publisher	Informa UK Limited
Publisher Date	2017-10-17
Access Restriction	Open
Subject Keyword	Journal: Molecular Simulation Petroleum Engineering Gibbs Ensemble Multicomponent Vle Natural Gas Molecular Simulation
Content Type	Text
Resource Type	Article
Subject	Chemistry Information Systems Condensed Matter Physics Materials Science Chemical Engineering Modeling and Simulation

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