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A recent version of statistical associating fluid theory (SAFT), namelySAFT2, is coupled with the van der Waals and Platteeuw theory to study thealkane hydrate phase equilibrium conditions. The model is found to provide anaccurate representation of the alkane hydrate dissociation conditions with andwithout inhibitors, such as salts, alcohols, as well as mixed salts andalcohol. Based on SAFT2, a heterosegmented SAFT equation of state is developedto model the thermodynamic properties of aqueous ionic liquid (IL) solutions,which is recently discovered as dual function gas hydrate inhibitors. Withtransferrable model parameters, the heterosegmented SAFT generally wellrepresents the liquid density, activity coefficient, and osmotic coefficient ofaqueous imidazolium IL solutions. The inhibition effects of imidazolium IL onmethane hydrate is also studied by the heterosegmented SAFT and the van derWaals and Platteeuw theory.  The heterosegmented SAFT is then modified to better represent thethermodynamic properties of aqueous IL solutions with the help of Monte Carlosimulation and the solutions of Ornstein-Zernike integral equation. A simplemodification of MSA, referred to as KMSA, is proposed to accurately predict theexcess energies of electrolyte system in mixture with neutral component. MonteCarlo simulations are also conducted on flexible charged hard-sphere chainmolecules, and a SAFT model which implements either a dimer or a dimer-monomerapproach to account for the charged chain connectivity is proposed.

Development of Statistical Associating Fluid Theory for Aqueous Ionic  Liquid Solutions by Implementing Monte Carlo Simulations and Ornstein-Zernike  Integral Equation