Molecular simulations and NMR relaxometry experiments demonstrate that pure benzene or xylene confined in isoreticular metal-organic frameworks (IRMOFs) exhibit true vapor-liquid phase equilibria where the effective critical point may be reduced by tuning the structure of the MOF. Our results are consistent with vapor and liquid phases extending over many MOF unit cells. These results are count...

The comprehensive topological isomorphism of liquid–vapor, fusibility, and solubility diagrams in the proper sets variables is proven with aid van der Waals equations shift phase equilibrium. Analogues Gibbs–Konovalov Gibbs–Roozeboom laws are demonstrated ternary quaternary systems under crystallization different types solid solutions. For demonstration, reciprocal system K+,NH4+||Cl−,Br−−H2O i...

The prediction method of the isobaric vapor-liquid-liquid equilibria (VLLE) data for the system ethanol-water-1-butanol and ethanol-2-butanol-water was studied. The parameters for the activity coefficients models were determined from the constituent binary VLE data. With the parameters, the isobaric ternary VLLE data were predicted and compared with the experimental ones obtained in our previou...

Self diffusion coefficients and binary Maxwell-Stefan diffusion coefficients were determined by equilibrium molecular dynamics simulations with the Green-Kubo method. The study covers five pure fluids: neon, argon, krypton, xenon, and methane and three binary mixtures: argon+krypton, argon+xenon, and krypton+xenon. The fluids are modeled by spherical Lennard-Jones pair-potentials, with paramete...

systematic studies on the vapor-liquid equilibria (vle) and conductometric properties of aqueous solutions of model surface-active ionic liquid 1-dodecyl-3-methylimidazolium bromide ([c12mim]br) are performed in the absence and presence of a large series of electrolytes in order to achieve a deeper understanding about the molecular mechanism behind the specific salt effect on the aggregation be...

In this work, a more accurate prediction of liquid evaporation flux has been achieved. The statistical rate theory approach, which is recently introduced by Ward and Fang and exact estimation of vapor pressure in the layer adjacent to the liquid–vapor interface have  been used for prediction of this flux. Firstly, the existence of an equilibrium layer adjacent to the liquid-vapor interface ...