Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry
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Published version
Accepted version
Author(s)
Type
Journal Article
Abstract
The application of the SAFT-γ Mie group contribution approach [Papaioannou et al., J. Chem. Phys., 140 (2014) 054107] to the study of a range of systems of relevance to the oil and gas industry is presented. In particular we consider carbon dioxide, water, methanol, aromatics, alkanes and their mixtures. Following a brief overview of the SAFT-γ Mie equation of state, a systematic methodology for the development of like and unlike group parameters relevant to the systems of interest is presented. The determination of group-group interactions entails a sequence of steps including: the selection of representative components and mixtures (in this instance carbon dioxide, water, methanol, aromatics and alkanes); the definition of an appropriate set of groups to describe them; the collection of target experimental data used to estimate the group-group interactions; the determination of the group-group interaction parameters; and the assessment of the adequacy of the parameters and theoretical approach. The predictive capability of the SAFT-γ Mie group contribution approach is illustrated for a selection of mixtures, including representative examples of the simultaneous description of vapour-liquid and liquid-liquid equilibria, the densities of the coexisting phases, second derivative thermodynamic properties, and excess properties of mixing. Good quantitative agreement between the predictions and experimental data is achieved, even in the case of challenging mixtures comprising carbon dioxide and water, n-alkanes and water, and methanol and methane.
Date Issued
2015-12-24
Date Acceptance
2015-12-23
Citation
Fluid Phase Equilibria, 2015, 416, pp.104-119
ISSN
0378-3812
Publisher
Elsevier
Start Page
104
End Page
119
Journal / Book Title
Fluid Phase Equilibria
Volume
416
Copyright Statement
© 2016 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license
(http://creativecommons.org/licenses/by/4.0/).
(http://creativecommons.org/licenses/by/4.0/).
License URL
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Grant Number
EP/E016340/1
EP/J014958/1
EP/J003840/1
EP/K504099/1
Subjects
Science & Technology
Physical Sciences
Technology
Thermodynamics
Chemistry, Physical
Engineering, Chemical
Chemistry
Engineering
SAFT-VR
SAFT
Group contribution methods
Oil and gas
Fluid-phase behaviour
VAPOR-LIQUID-EQUILIBRIUM
PLUS CARBON-DIOXIDE
MULTIPLE BONDING SITES
BUTANE-WATER-SYSTEM
PHASE-EQUILIBRIA
N-ALKANES
HYDROCARBON SYSTEMS
ASSOCIATING FLUIDS
EXCESS-ENTHALPIES
TERNARY MIXTURES
Chemical Engineering
0203 Classical Physics
0904 Chemical Engineering
Publication Status
Published