Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures. Issue 5 (24th March 2018)

• Record Type: Journal Article
• Authors: Ramdin, M.; Jamali, S. H.; Becker, T. M.; Vlugt, T. J. H.
• Is Part Of: Molecular simulation. Volume 44:Issue 5(2018)
• Page Start: 377
• Page End: 383
• Publication Date: 2018-03-24
• Subjects: Gibbs ensemble -- multicomponent VLE -- natural gas -- molecular simulation; Molecular dynamics -- Computer simulation -- Periodicals; Statistical mechanics -- Computer simulation -- Periodicals; 539.6
• DOI: 10.1080/08927022.2017.1387656
• Languages: English
• ISSNs: 0892-7022

Abstract

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 (, , , 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.