A proper understanding of reservoir fluid phase behavior is the first crucial step in the development and production of an oil/gas field. This paper addresses the challenges and errors associated with the fluid sampling that may arise before, during and after the sampling operation. For this aim, DST and PVT data of exploration and production wells of a supergiant offshore gas condensate reserv...

The free energy of formation of a droplet in a finite system containing N particles in a box of volume V at a temperature T is examined. For certain values of the supersaturation the free energy of formation has a maximunl and a minimum. The maximum gives rise to a barrier to nucleation whereas the minimum corresponds to the formation of a stable droplet in equilibrium with vapor. Vapor imperfe...

In this work is examined whether it is possible to predict solid-liquid-vapor phase equilibrium of ternary systems used in the SAS processing by the Peng-Robinson equation of state coupled with the LCVM mixing rules and the UNIFAC method for excess Gibbs free energy calculation. The enthalpy of fusion and the melting point temperature are estimated by group contribution methods. The results sho...

The engineering calculation and simulation of absorption refrigeration systems require the availability of simple and efficient functions for the determination of thermodynamic property values of the operating fluid. This work presents a set of five simple and explicit functions for the determination of the vapor - liquid equilibrium properties of the ammonia-water mixture. The functions are co...

A vapor-liquid interface introduces resistivities for mass and heat transfer. These resistivities have recently been determined from molecular simulations, as well as theoretically using the van der Waals square gradient model. This model, however, does not allow for direct quantitative comparison to experiment or results from molecular simulations. The classical density functional theory is us...

The equilibrium density distribution and thermodynamic properties of a Lennard-Jones fluid confined to nano-sized spherical cavities at constant chemical potential was determined using Monte Carlo simulations. The results describe both a single cavity with semipermeable walls as well as a collection of closed cavities formed at constant chemical potential. The results are compared to calculatio...

The equilibrium density distribution and thermodynamic properties of a Lennard-Jones fluid confined to nanosized spherical cavities at a constant chemical potential was determined using Monte Carlo simulations. The results describe both a single cavity with semi-permeable walls as well as a collection of closed cavities formed at the constant chemical potential. The results are compared to calc...

Since the pioneering prediction of surface melting by Michael Faraday, it has been widely accepted that thin water layers, called quasi-liquid layers (QLLs), homogeneously and completely wet ice surfaces. Contrary to this conventional wisdom, here we both theoretically and experimentally demonstrate that QLLs have more than two wetting states and that there is a first-order wetting transition b...

The effect of various salts such as magnesium nitrate, calcium nitrate, zinc nitrate, and magnesium chloride on vapor−liquid equilibrium (VLE) of the ethyl acetate−ethanol system was studied experimentally in a modified Othmer still at atmospheric pressure. The influence of cation and anion of the salts on the VLE of the ethyl acetate− ethanol system was examined. It was observed that the order...

An extension of the anisotropic united atoms intermolecular potential model is proposed for nitriles. The electrostatic part of the intermolecular potential is calculated using atomic charges obtained by a simple Mulliken population analysis. The repulsion-dispersion interaction parameters for methyl and methylene groups are taken from transferable AUA4 literature parameters [Ungerer et al., J....