Sharif Digital Repository

In this work, the selectivity coefficients of ionic liquids in liquid-liquid systems were correlated and predicted by the NRTL, UNIQUAC, and Wilson-NRF Gibbs free energy models and also by an artificial neural network system. The three thermodynamic models need six binary interaction parameters between solvent(1)-solvent(2), solvent(1)-ionic liquid, and solvent(2)-ionic liquid pairs in obtaining the selectivity of ionic liquid in liquid-liquid systems. Also, the selectivity coefficients of ionic liquids were modeled using an artificial neural network system. In the proposed neural network system, temperature, molecular weight of ionic liquid, molecular weight of solvents, and mole fractions... 

In this study, the liquid-liquid phase behavior of aromatic compound. +. aliphatic compound. +. ionic liquid (IL) ternary systems was estimated by using two artificial neural networks (ANN) developed based on back propagation (BP) and hybrid group method of data handling (GMDH). Molar ratio of aliphatic compound, aromatic compound, and IL as well as temperature, molecular weight ratio of aliphatic compound to IL, and molecular weight ratio of aromatic compound to IL were chosen as the inputs to the networks. Additionally, the mole fraction of components in final alkane-rich phase and IL-rich phase was considered as desired outputs. The best topology of the BP-ANN model was found as (6-8-4).... 

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)... 

In this study, a novel experimental approach was used to overcome the lack of phase equilibrium information to obtain data that is more applicable to industrial situations. Liquid-liquid equilibrium (LLE) data, tie-lines, and phase boundaries were carried out for two systems of canola oil methyl esters (containing 1 wt % KOH) + glycerol + methanol and sunflower oil methyl esters (containing 1 wt % KOH) + glycerol + methanol at three different temperatures (303.15, 313.15, and 323.15 K). The quality of data was also ascertained using Othmer-Tobias correlations. The experimental LLE data was also correlated by the nonrandom two-liquid (NRTL) and the Wilson-NRF Gibbs free energy models. The... 

An algorithm has been developed to investigate the effect of asphaltene precipitation on calculation of minimum miscibility pressure (MMP), which is one of the key design parameters of any gas injection projects. In fact, this algorithm is the extension of procedure suggested by Jaubert et al. for prediction of MMP whatever the displacement mechanism. The vapor-liquid equilibrium calculation and then liquid-liquid equilibrium calculation are required to be taken account to estimate the amount of asphaltene precipitation. The association equation of state (AEOS) has been applied to determine the phase behavior of asphaltene. The algorithm has been used for the MMP prediction of Weyburn... 

Liquid-liquid equilibrium (LLE) data, density, viscosity, and interfacial tension for the ternary system of toluene-acetic acid-water were measured at 298.15 K and 101.7 kPa. The Othmer-Tobias and the Hand correlations were used to check the reliability of the experimental tie-lines. Moreover, the distribution coefficient and the separation factor were explored. It was found from the experimental results that a maximum separation factor value happens at an acetic acid mass fraction of 0.02 in the organic phase. Density, viscosity, and interfacial tension were correlated using the appropriate correlations such that the predicted results have excellent agreement with the experimental data. The... 

Liquid-liquid equilibrium (LLE) data for the ternary systems (heptane. +. p-xylene. +. 1-ethyl-3-methylpyridinium ethylsulfate) and (n-octane. +. p-xylene. +. 1-ethyl-3-methylpyridinium ethylsulfate) were measured at . T=. 313.15. K and atmospheric pressure. The selectivity and aromatic distribution coefficients, calculated from the equilibrium data, were used to determine if this ionic liquid can be used as a potential extracting solvent for the separation of p-xylene from heptane and n-octane. The consistency of tie-line data was ascertained by applying the Othmer-Tobias and Hand equations  

In this paper, we analytically study the influences of using frequency domain approximation in numerical simulations of fractional order systems. The number and location of equilibria, and also the stability of these points, are compared between the original system and its frequency based approximated counterpart. It is shown that the original system and its approximation are not necessarily equivalent according to the number, location and stability of the fixed points. This problem can cause erroneous results in special cases. For instance, to prove the existence of chaos in fractional order systems, numerical simulations have been largely based on frequency domain approximations, but in... 

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... 

Two different models based on Guggenheim's renormalized canonical partition function proposed by Wang and Vera, the generalized quasi-chemical model (GEM-QC) and the generalized regular solution model (GEM-RS), have been used in molecular form to correlate the liquid-liquid equilibrium (LLE) of experimental data for ternary systems containing water, propionic acid (PA) and organic solvents. Both the GEM-QC and the GEM-RS models have nine adjustable parameters for a ternary system, which are obtained from a least square fit of the models to the LLE experimental data. In this work the same assumptions made to develop the simplified GEM-RS model (GEM-RS2) by Wang and Vera, have been applied to...