Sharif Digital Repository

Parameters of the PC-SAFT Equation of State (EoS) for pure components are generally determined by matching the saturation pressure and liquid density experimental data. These experimental data are unavailable for petroleum cuts and plus fractions of the petroleum reservoir fluids. In this work, new correlations as functions of specific gravity and molecular weight were developed to estimate the PC-SAFT parameters of petroleum cuts with unknown composition. It was shown that the proposed correlations accurately estimate the PC-SAFT parameters of the pure components published in the literature. Then, the obtained correlations were used and the PVT experimental data for various real reservoir... 

Amino acids partitioning including phenylalanine, glutamic acid, and tryptophan in aqueous and ionic liquid phases at temperature of 298.15 K and atmospheric pressure were measured. 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide used in this work can produce two phases with water immediately. The effect of aqueous solution pH on amino acids partitioning was studied and revealed that amino acid partitioning coefficient was decreased with increasing pH. This phenomenon pertains to the electrostatic interaction between cations of amino acid and the anions of ionic liquid which is decreased when pH increases. Considering the effect of pH, liquid-liquid equilibrium data of amino... 

The solubility of CO2 in the systems of CO2 + benzene, CO2 + n-hexane, and CO2 + toluene was meticulously measured at (293.15, 298.15, and 308.15) K and different pressures using a pressure-volume-temperature (PVT) apparatus. Also the effect of pressure on the solubility of CO2 in the organic solvents used in this work was investigated. The Peng-Robinson equation of state (PR EOS) with only one temperature-independent binary interaction parameter was used in correlating the experimental data. The results showed that the PR EOS can accurately correlate the experimental data for the solubility of CO2 in the organic solvents at high pressure. In case of the systems CO2 + benzene and CO2 +... 

New experimental results are presented for the solubility of carbon dioxide, hydrogen sulfide in the ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate ([C8mim][PF6]) at temperatures range from (303.15 to 353.15) K and pressures up to about 2 MPa. The solubility of the mixture of CO2/H2S in [C8mim][PF6] under various feed compositions were also measured at temperatures of (303.15, 323.15 and 343.15) K and the pressure up to 1 MPa. The solubility of carbon dioxide and hydrogen sulfide increased with increasing pressure and decreased with increasing temperature and the solubility of H2S is about three times that of CO2 in the particular ionic liquid studied. The measured data were... 

The perturbed chain-statistical associating fluid theory equation of state (PC-SAFT EoS) is one of the state-of-the-art thermodynamic models used in the phase equilibrium calculation of associating mixtures, in particular, in the pharmaceutical industry. Accordingly, parametrization of the PC-SAFT EoS for approved solvents reviewed for use in pharmaceutical process design by the International Conference on Harmonization of Technical Requirements for Registration of Pharmaceuticals for Human Use (ICH) was done in the present study. First, the PeC-SAFT EoS model parameters for 41 pure solvents were regressed (of 62 solvents). The available high-quality binary vapor-liquid equilibrium (VLE)... 

Ionic liquids are a significant type of organic salts with attractive and superior physicochemical features for employing in a number of chemical processes. Ionic liquids include one large and asymmetric cationic or anionic functional group. The properties of cationic functional group are almost similar and it is main motivation of this study. In the present investigation, we extended various semi-empirical correlations to predict some temperature-based properties of ionic liquids mixture (IL-mixture). These properties are density, viscosity, surface tension and bubble point pressure. In the case of IL-mixture density, modified Rackett equation and Taylor equation with three scenarios,... 

Vapor pressure and liquid density of 20 pure alcohols were correlated using an artificial neural network (ANN) system and statistical associating fluid theory (SAFT) equation of state. The SAFT equation has five adjustable parameters as temperature-independent segment diameter, square-well energy, number of segment per chain, association energy and association volume. These parameters can be obtained by a non-linear regression method using the experimental vapor pressure and liquid density data. In continue, the vapor pressure and liquid densities of pure alcohols were estimated by using an artificial neural network (ANN) system. In the neural network system, it is assumed that thermodynamic... 

Equations of state based on the statistical associating fluid theory for potentials of variable range (SAFT-VR) and the perturbed chain statistical associating fluid theory (PC-SAFT) have been used to model the PVT behavior of ionic liquids and the solubility of H2S in six imidazolium-based ionic liquids. The studied systems included [bmim][PF6], [hmim][PF6], [bmim][BF4], [hmim][BF4], [bmim][NTF2] and [hmim][NTF2] at various temperatures and pressures.For pure components, parameters of the models have been obtained by fitting the models to experimental data on liquid densities; the average relative deviation between the calculated and experimental densities for ionic liquids is less than...