Sharif Digital Repository

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... 

Interfacial tension of both 36 binary and 6 ternary liquid-liquid systems at 298 K, has been predicted through a reliable thermodynamic model. To properly predict interfacial tension, it is necessary to calculate interfacial area of each constituent of the mixtures. For such estimation, two empirical correlations have been proposed for binary mixtures whose one component is water and experimental data have been used to calculate interfacial area of ternary mixtures. The UNIQUAUC Excess Gibbs Free energy model and its parameters have been used to calculate the concentration and activity coefficients in the bulk and interface phases. The overall average deviation of the predicted binary... 

Densities and viscosities of aqueous solutions containing sulfolane and ternary aqueous solutions of sulfolane and triethanolamine and ternary aqueous solutions containing sulfolane and disopropanolamine and also equilibrium surface tensions of the above ternary aqueous solutions were measured at temperatures ranging from (303.15 to 343.15) K and atmospheric pressure. The overall concentration of sulfolane, triethanolamine, and diisopropanolamine in solutions varied in the range of 0 to 16.5, 0 to 43, and 0 to 40 mass percent, respectively. Using the density, viscosity, and surface tension of pure water as the solvent, the corresponding experimental values obtained for the investigated... 

(Liquid + liquid) equilibrium (LLE) data for the ternary systems (heptane + toluene + 1-ethyl-3-methylpyridinium ethylsulfate) and (heptane + benzene + 1-ethyl-3-methylpyridinium ethylsulfate) were measured at T = 298.15 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 aromatic compounds from heptane. The consistency of tie-line data was ascertained by applying the Othmer-Tobias and Hand equations  

We have studied the phase formation of a CoSi2 layer by solid-state reaction of ternary Co/WxTa(1-x)/Si(1 0 0) systems. The effect of cosputtered WxTa(1-x) nanometric interlayers, with different values of x (0, 0.25, 0.5, 0.75 and 1), on the degree of texturing of a CoSi2 layer and disilicide formation of the refractory metals has been investigated. The annealed samples, in a temperature range of 400-1000 °C, were analysed by x-ray diffraction, sheet resistance measurement, scanning electron microscopy, and energy-dispersive x-ray techniques. Using W0.25Ta0.75 and W interlayers, the best (1 0 0) texture of the CoSi2 layer with a thermal stability in the range of 900-1000 °C was produced. In... 

The chitosan-grafted-poly(N-vinylcaprolactam) (chitosan-g-PNVCL) nanofibers were synthesized via electrospinning method. ZIF-8 metal-organic frameworks nanoparticles were incorporated into the nanofibers for adsorption of Cr(VI), As(V) and phenol from water. The BET, FTIR, XRD and SEM analysis were carrfried out to obtain the characteristics of nanofibers. The optimum parameters of ZIF-8 content, pH, contact time, adsorbent dosage, and initial concentration of adsorbates on the Cr(VI), As(V) and phenol removal were studied. The reusability of synthesized nanofibers for five sorption-desorption cycles was also examined. The maximum experimental adsorption capacity of the... 

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... 

In this study, a reliable and predictive model namely, least-squares support vector machine (LS-SVM) was developed to predict dye removal efficiency. Four LS-SVM models have been developed and tested using more than 630 series of experimental data which were obtained from our previous paper. These data consist of adsorbate type, adsorbent dosage, initial dye concentration, salt, absorbance time and dye removal efficiency. Direct Red 31 (DR31), Direct Green 6 (DG6) and Acid Blue (AB92) were used as a model dyes. The results show that the developed model is more accurate and reliable with the average absolute relative deviation of 0.678%, 0.877%, 0.581% and 0.978% for single systems and... 

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  

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... 

In this work, an expression for the free volume Gibbs energy model based on the local composition concept (LCC) has been proposed in correlating the solubility, the partitioning and the surface tension of β-lactam, tetracycline, fluoroquinolone and chloramphenicol antibiotic groups in water, alcohol, ketone, trihalomethane, ether and ester solvent groups. Similar to the LCC models the proposed model has two combinatorial and residual terms. The extended Guggenheim model is used as combinatorial term and a new local composition-based model, which is the extended local area fraction NRTL-NRF model, is proposed for the residual term. The results obtained from the proposed model have been... 

Despite the numerous researches in Stress Corrosion Cracking (SCC) risk of austenitic stainless steels in aqueous chloride solution, no formulation or reliable method for prediction of time to failure as a result of SCC has yet been defined. In this paper, the capability of artificial neural network for estimation of the time to failure for SCC of 304 stainless steel in aqueous chloride solution together with sensitivity analysis has been expressed. The output results showed that artificial neural network can predict the time to failure for about 74% of the variance of SCC experimental data. Furthermore, the sensitivity analysis also demonstrated the effects of input parameters (Temperature,... 

The solubility of hydrogen sulfide in three ionic liquids, 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]), 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]), and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim][Tf 2N]), at temperatures ranging from (303.15 to 343.15) K and pressures up to 1 MPa was determined. The solubility data were correlated using the Krichevsky-Kasarnovsky equation, and Henry's law constants at different temperatures were obtained. From the solubility data, the partial molar thermodynamic functions of solution such as Gibbs energy, enthalpy, and entropy were calculated. Comparison showed that the solubility of H2S in these... 

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).... 

In this research, thermodynamic modeling and activity coefficient prediction of KCl in the (water + formamide/glucose/proline) mixed solvent systems were reported. Thermodynamic study was performed using the potentiometric data based on extended ion interaction Pitzer-Archer model in various mixed solvent systems containing 0, 10, 20, 30 and 40% mass fractions of formamide and glucose at T = 298.2 K and 0, 2.5, 5.0, 7.5 and 10.0% mass fractions of proline at T = 308.2 K and ambient pressure over ionic strength ranging from 0.0014 to 3.9579 mol·kg- 1. The adjustable parameters were determined and the obtained results were then interpreted based on extended ion interaction Pitzer-Archer model.... 

The separation of xylene isomers is an important application in separation processes that is based on their adsorption properties on different adsorbents. In this work, the Price and Danner method was employed with a neural network to investigate the adsorption behavior of binary systems of p-xylene/m-xylene, p-diethyl benzene/m-xylene, and p-diethyl benzene/p-xylene and the ternary system of p-diethyl benzene/m-xylene/p-xylene at 130 and 175°C. The Redlich-Kister, Wilson, and NRTL models were used to determine the activity coefficients in the adsorbed phase. Comparison with experimental data from the literature indicated that the proposed thermodynamic model would best determine surface... 

The solubility of hydrogen sulphide in three ionic liquids, viz. 1-hexyl-3-methylilmidazolium hexafluorophosphate ([hmim][PF6]), 1-hexyl-3-methylimidazolium tetrafluoroborate ([hmim][BF4]), and 1-hexyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([hmim][Tf2N]), at temperatures ranging from 303.15 K to 343.15 K and pressures up to 1.1 MPa were determined. The solubility values were correlated using the Krichevsky-Kasarnovsky equation and Henry's constants were obtained at different temperatures. Partial molar thermodynamic functions of solvation such as standard Gibbs free energy, enthalpy, and entropy were calculated from the solubility results. Comparison of the values obtained... 

Gas porosities and entrapped double oxide film (hereafter: oxides) are known to be the most detrimental defects in cast Al-Si-Mg alloys. This study investigated the effects of dissolved hydrogen (hereafter: H) and oxides on reproducibility of tensile properties in Al-7Si-0.35 Mg alloys. Also the effects of H and oxides content on the morphology of defects were studied. Four different casting conditions (low oxide-low H, low oxide-high H, high oxide-low H, high oxide-high H) were tested using tensile test bars that were cast in a metallic mold. Results of tensile test that were obtained for each casting condition were analyzed using Weibull two-parameter analysis. Microstructure and fracture... 

The environmental impact of asbestos fibers on human health and their consequent safety-related problems indicate that there is a significant need to replace this material in all asbestos-containing products. Many different types of fibers have been introduced to replace asbestos fibers. In this study, the performance of silica nano-particles combined with waste paper pulp fibers (sulfite fibers) has been investigated. Different mechanical (compressive and flexural strengths and bending performance), durability (water absorption), physical (bulk density and flowability), and microstructural (scanning electron microscopy) tests were conducted to examine the properties of manufactured green...