Phase Behavior and Thermodynamic Properties of Fluid Mixtures

Experimental studies

Experimental studies of phase equilibria: static method; Head-Space Analysis (Mutifract F 45, Perkin-Elmer); circulation method (Bushmakin, Gilespie and Sventoslavsky stills) Calorimetric measurements (Differential Scanning Calorimeter Calve, Cetaram; Isothermal Titration Calorimeter III, ). Experiments at low and normal pressure for different types of fluid mixtures. Examples are aqueous-organic solutions of salts and acid gases, fluids containing associating species, aqueous solutions of ionic liquids, etc.

Development of equations of state and phase equilibria calculations for engineering applications

Development of equations of state and phase equilibria calculations for engineering applications. One example is a group-contribution equation of state proposed in our lab ( Hole Model ) that generalizes a number of previously known lattice-fluid equations of state. HM has been tested for numerous fluid mixtures. Parameters of HM have been estimated for a large number of functional groups representing different classes of chemical compounds. This makes possible prediction of phase behavior for a large number of binary and multicomponent mixtures. Many applications of HM include prediction phase behavior of crude oils from various oilfields at natural conditions. Special modifications of HM have been proposed for aqueous solutions of weak electrolytes and for ionic liquids.


Publications:
1.

Tumakaka F., Prikhodko I.V., Sadowski G. Modeling of solid-liquid equilibria for systems with solid-complex phase formation. // Fluid Phase Equilibria, 2007. Vol.260. N 1. P.98-104.

2.

E.P.Sokolova, N.P.Tumanyan, A.Yu.Vlasov and .J.Masters. Zwanzig model of multi-component mixtures of biaxial articles: y3 theory re-visited. Molecular Physics, 2006, v.104, P.2901-2917.

3.

X.-M.You, A.Yu.Vlasov and A.J.Masters. The equation of state of isotropic fluids of hard convex bodies from a high-level virial expansion. Journal of Chemical Physics, 2005, v. 123, 034510.

4.

Dobryakova, I.E., Dobryakov, Yu.G. Limiting activity coefficients of phenol in hydrocarbons//Russian Journal of Applied Chemistry. 2005, 78.(2), pp.207-211.

5.

Smirnova N.A. Phase equilibria modeling in aqueous-organic electrolyte systems with regard to chemical phenomena. J. Chem. Thermodynamics. 2003. Vol.35. pp.747-762.

6.

Vlasov A.Yu., Masters A.J. Mixture of hard spheres: how far can one go with virial equation of state. Fluid Phase Equiliria, 2003. Vol.212. pp.183-198.

7.

Beier A., Kuranov G., Stephan K., Hasse H. High-Pressure Phase Equilibria of Carbon Dioxide + 1-Hexanol at 303.15 and 313.15 K. J.Chem.Eng.Data, 2003, Vol.48. N6, pp.1365-1367.

8.

A.Balaban, G. Kuranov, N. Smirnova Phase equilibria modeling in aqueous systems containing 2-propanol and calcium chloride or/and magnesium chloride//Fluid Phase Equilibria. 2002, vol.194-197, pp.717-729.

9.

Y.Anufrikov, A.Perez-Salado Kamps, G.Kuranov, B.Rumpf, N.A.Smirnova, G.Maurer. Solubility of CO2 in aqueous solutions of n-methyldiethanolamine + (H2SO4 or Na2SO4). AIChE-J. 2002. Vol.48, 1, pp.168-177.

10.

A.G.Morachevsky et al., Thermodynamics of Liquid-Vapor Equilibrium 1989, Khimia (in Russian).

11.

A.Balaban, G. Kuranov, N. Smirnova Phase equilibria modeling in aqueous systems containing 2-propanol and calcium chloride or/and magnesium chloride//Fluid Phase Equilibria. 2002, vol.194-197, pp.717-729.

12.

Y.Anufrikov, A.Perez-Salado Kamps, G.Kuranov, B.Rumpf, N.A.Smirnova, G.Maurer. Solubility of CO2 in aqueous solutions of n-methyldiethanolamine + (H2SO4 or Na2SO4). AIChE-J. 2002. Vol.48, 1, pp.168-177.

13.

A.G.Morachevsky et al., Thermodynamics of Liquid-Vapor Equilibrium 1989, Khimia (in Russian).