Abstract This article is the first of three projected IUPAC Technical Reports resulting from Project 2011-037-2-100 (Reference Materials for Phase Equilibrium Studies). The goal this project to select reference systems with critically evaluated property values validation instruments and techniques used in phase equilibrium studies mixtures. report proposes seven liquid–liquid studies, covering ...

ABSTRACT. Liquid–liquid equilibrium data and the phase diagrams were measured for ternary (neopentyl glycol + sodium formate water) system at various temperatures of 303.15, 313.15 323.15 K. The effect temperature on conjugate tie-line length investigated have been studied. results showed that increases two-phase area was slightly increased by decreasing temperature. fitting parameters Pirdasht...

The vapor-liquid equilibria of three recently proposed water models have been computed using Gibbs-Duhem simulations. These models are TIP4P/Ew, TIP4P/2005, and TIP4P/ice and can be considered as modified versions of the TIP4P model. By design TIP4P reproduces the vaporization enthalpy of water at room temperature, whereas TIP4P/Ew and TIP4P/2005 match the temperature of maximum density and TIP...

Experimental liquid-liquid equilibria of the water-chloroform-acetic acid system were studied at temperature of 298.15 K. Complete phase diagrams were obtained by determining solubility and tie-line data. Data for the construction of ties-lines were determined by preparing mixtures of known mole fraction of components in the region of formation of two phases. Separation factors were evaluated f...

This paper compares the performance of penalty and Lagrange multiplier approaches for the necessary unit-length constraint in the computation of liquid crystal equilibrium configurations. Building on previous work in [SIAM J. Sci. Comput., 37 (2015), pp. S157–S176; SIAM J. Numer. Anal., 53 (2015), pp. 2226–2254], the penalty method is derived and well-posedness of the linearizations within the ...

( ) A group-contribution GC method was coupled with the perturbed-hard-sphere-chain ( ) ( ) PHSC equation of state EOS to predict its characteristic parameters. This model can describe both equilibrium and ®olumetric properties of regular fluids and chain-like molecules. The estimation of group contributions for the characteristic ®olume, surface area, and interaction energy was based only on ®...

Incorporating budget constraints into the analysis of auctions has become increasingly important, as they model practical settings more accurately. The social welfare function, which is the standard measure of efficiency in auctions, is inadequate for settings with budgets, since there may be a large disconnect between the value a bidder derives from obtaining an item and what can be liquidated...

This study reports liquid–liquid equilibrium (LLE) and liquid–liquid–liquid (LLLE) data for binary (phenol + n- dodecane, or n -hexadecane) ternary (water phenol systems measured under atmospheric pressure. The compositions of coexisting phases were determined with analytical cloud point methods at temperatures 298 K – 353 K. Non–Random Two–Liquid (NRTL) excess Gibbs energy model was employed t...

Recently an improved long-range model for electrolyte solutions was developed that is applicable from infinite dilution to pure salt. This paper tests this claim the first time applying it calculation of liquid-liquid equilibria mixtures different ionic liquids (ILs) and water. The conventional Pitzer-Debye-Hückel (PDH) equation compared two its new, thermodynamically consistent extensions. Bot...