The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behavior aqueous solutions a variety linear, branched, and cyclic amines. New group interactions are developed in order model mixtures interest, including like unlike between alkyl primary, secondary, tertiary amine groups (NH2, NH, N), secondary (cNH, cN), methine-amine (cCHNH, cCHN) with water (H2O). grou...

In the present survey some important trends in the high pressure thermodynamics of fluid mixtures of non-electrolytes are reviewed. First the pressure dependence of excess functions such as the excess Gibbs energy GE, the excess enthalpy HE, the excess entropy SE and the excess heat capacity CE is discussed. It can be obtained from the knowledge of the excess volume yE as a function of pressure...

An extension of the transferable potentials for phase equilibria-united atom (TraPPE-UA) force field to acrylate and methacrylate monomers is presented. New parameters were fit to the liquid density, normal boiling point, saturated vapor pressure, and (where experimentally available) critical constants of 1,3-butadiene, isoprene, methyl acrylate, and methyl methacrylate using Gibbs ensemble Mon...

We review the current state of knowledge of phase separation and phase equilibria in porous materials. Our emphasis is on fundamental studies of simple fluids (composed of small, neutral molecules) and well-characterized materials. While theoretical and molecular simulation studies are stressed, we also survey experimental investigations that are fundamental in nature. Following a brief survey ...

A new apparatus based on a static-analytic method was developed in this work to perform high-pressure vapor-liquid equilibria measurements up to 68 MPa and 373 K. In order to validate this new apparatus, vapor-liquid equilibria of the binary system CO2 + ethanol was measured at temperatures of 313, 323 and 338 K and pressures from 1.2 to 11 MPa. Results were compared with data from the literatu...

A comprehensive mixed-solvent electrolyte model has been extended to calculate liquid– liquid equilibria in water–organic salt systems. Also, it has been applied to calculate phase equilibria and speciation in strongly associating systems such as sulfuric acid/oleum (H2SO4+SO3+H2O) in the entire concentration range. The model combines an excess Gibbs energy model with detailed speciation calcul...