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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 110, 2012 - Issue 11-12: Thermodynamics 2011 Conference
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Invited Articles

Modelling the effect of methanol, glycol inhibitors and electrolytes on the equilibrium stability of hydrates with the SAFT-VR approach

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Pages 1223-1240 | Received 30 Nov 2011, Accepted 01 Feb 2012, Published online: 24 Apr 2012
 

Abstract

In this work we integrate the statistical associating fluid theory for fluids interacting through potentials of variable range (SAFT-VR) into a traditional van der Waals and Platteeuw framework for modelling clathrate hydrates. We incorporate a new water–guest cell potential for the hydrate phase that can be related to the potential adopted in the familiar SAFT-VR equation of state for modelling fluids. We show how the ability of this equation of state to treat a wide range of complex fluids increases the scope of hydrate modelling to incorporate, in a single framework, the presence of various inhibitors (alcohols, glycols) or brines – or, indeed, any fluid for which a model is available (for use within SAFT-VR) or can be conveniently obtained. Agreement with experimental results is good throughout and, in many cases, excellent.

Acknowledgements

AJH gratefully acknowledges the DTI Technology Programme for funding within the project Integrated Sensors, Modelling and Control for Oilfield Fluids and Processes, grant reference TP/2/SC/6/1/10244. Additional funding to the Molecular Systems Engineering group from the Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom (grants GR/N20317, GR/N03358, GR/N35991, GR/R09497, and EP/E016340), the Joint Research Equipment Initiative (JREI) (GR/M94427), and the Royal Society-Wolfson Foundation refurbishment grant is also gratefully acknowledged.

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