by proposing a predictive method with no adjustable parameter and by using infinite dilution activity coefficients of components in binary mixtures obtained from unifac model, the binary interaction parameters (k12) in van der waals mixing rule (vdwmr) and orbey-sandler mixing rule (osmr) have been evaluated. the predicted binary interaction parameters are used in peng-robinson-stryjek-vera equ...

A simple fluid, described by pointlike particles interacting via the Lennard-Jones potential, is considered under confinement in a slit geometry between two walls at distance L_{z} apart for densities inside the vapor-liquid coexistence curve. Equilibrium then requires the coexistence of a liquid "bridge" between the two walls, and vapor in the remaining pore volume. We study this equilibrium f...

We report Monte Carlo simulations that show a closed-loop liquid-vapor equilibrium in a pure substance. This finding has been achieved on a two-dimensional lattice model for patchy particles that can form network fluids. We have considered related models with a slightly different patch distribution in order to understand the features of the distribution of patches on the surface of the particle...

Kusaka correctly points out that his Eqs. ~1! @Eq. ~39! in Ref. 1# and ~2! @Eq. ~43! in Ref. 2# are equivalent. Hence, the statement in Ref. 2 that Nishioka and Kusaka ‘‘arrived at a different expression for the work of embryo formation’’ is incorrect. Our misunderstanding stemmed from a failure to properly translate the notation of Ref. 1 into our own language. At the outset, however, we point...

an extended peng-robinson equation of state (epr-eos) is used to model the vapor-liquid equilibrium (vle) in systems containing (water + nacl + co2), (water + methanol + nacl + co2), (water + na2so4 + co2) and (water + nh4cl + co2). the binary and ternary interaction parameters between salt and solvent are adjusted to experimental mean solvent activity of salts (nacl and na2so4). for the system...