Sharif Digital Repository

Deposition of barium sulfate (or BaSO4) has already been recognized as a devastating problem facing process industries and oilfield operations, mainly owing to its low solubility in aqueous solutions. Predicting and also preventing the overall damage caused by BaSO4 precipitation requires a profound knowledge of its solubility under different thermodynamic conditions. The main aim of this study is to develop a solubility prediction model based on a hybrid of least squares support vector nachines (LSSVM) and coupled simulated annealing (CSA) aiming to predict the solubility of barium sulfate over wide ranges of temperature, pressure and ionic compositions. Results indicate that predictions of... 

The mean spherical approximation (MSA) model, coupled with two hard sphere models, was used to predict the activity coefficients of mixtures of electrolyte solutions at different temperatures and concentrations. The models, namely the Ghotbi-Vera-MSA (GV-MSA) and Mansoori et al.-MSA (BMCSL-MSA), were directly used without introducing any new adjustable parameters for mixing of electrolyte solutions. In the correlation step, the anion diameters were considered to be constant, whereas the cation diameters were considered to be concentration dependent. The adjustable parameters were determined by fitting the models to the experimental mean ionic activity coefficients for single aqueous... 

In this article, a new hydration model has been proposed to study the phase behavior of aqueous electrolyte solutions. The proposed model distinguishes between an anion and cation in the electrolyte solution. The model has three adjustable parameters which can be obtained using the experimental data of the mean ionic activity coefficients for 113 electrolyte solutions. The results of the proposed model were compared with those of obtained from the Pitzer, the E-NRTL and the E-Wilson models. The results showed that the proposed model can accurately correlate the mean ionic activity coefficients of the aqueous electrolyte solutions than the other models. Also, the proposed model was used in... 

The mean spherical approximation (MSA) has been applied to accurately correlate the activity coefficients of individual ions in aqueòus solutions of single 1:1 electrolytes. In order to account for changes in the hydration of the ions, the size parameters of the ions are considered to be composition dependent. The values of the size parameters show that the hydration of the ions decreases as the electrolyte concentration increases. Results obtained from the full MSA and from a simplified version of MSA (SMSA), were compared. The use of the simplified version had a small effect on the final results and dramatically reduced the computation of the effort  

The Ghotbi-Vera hard sphere equation of state as the reference system, coupled with the mean spherical approximation, (GV-MSA), has been used to accurately correlate the mean ionic activity coefficients of aqueous solutions of single 1:1 electrolytes. The new equation of state considers the ions to be hard spheres in Kelvin tetrakaidekahedron cells. The mean ionic activity coefficients of the electrolytes can be correlated with constant diameter of anions, equal to the crystallographic Pauling diameter and with a concentration dependent relation for the cations. In comparison to their crystallographic Pauling diameters, the new model for the mean ionic activity coefficient produces realistic... 

Electrochemical cells with two ion-selective electrodes, a cation ion-selective electrode against an anion ion-selective electrode, were used to measure the activity coefficient of amino acids in aqueous electrolyte solutions. Activity coefficient data were measured for (H2O + NaBr + glycine) and (H2O + NaBr + L-valine) at T = 298.15 K. The maximum concentrations of sodium bromide, glycine, and L-valine were (1.0, 2.4, and 0.4) mol · kg-1, respectively. The results show that the presence of an electrolyte and the nature of both the cation and the anion of the electrolyte have significant effects on the activity coefficients of amino acid in aqueous electrolyte solutions  

The non-primitive mean spherical approximation (NP-MSA) based models were used to correlate the individual and the mean ionic activity coefficients of the symmetric and asymmetric aqueous electrolyte solutions. The results of the models for the mean ionic activity coefficients were directly used to calculate the osmotic coefficient for the electrolyte solutions studied in this work. In the NP-MSA models, the Ghotbi-Vera and the Boublik-Mansoori-Carnahan-Starling- Leland hard sphere equation of state as the reference system coupled with the non-primitive mean spherical approximation model (NP-GV-MSA and NP-BMCSL-MSA models, respectively). In correlating the mean ionic activity coefficients of... 

An equation of state based on the statistical associating fluid theory for potentials of variable range (SAFT-VR) is used to model 7 hydrogen-bonding solvents and 23 electrolyte solutions. Solvent-solvent hydrogen bonding interactions are explicitly taken into account as in other versions of the SAFT approach. In addition, long-range Coulombic interactions between ionic species are accounted for using the non-restricted mean-spherical approximation, while solvent-solvent and solvent-ion dispersion interactions are included and are treated using Yukawa potentials. Previously a similar approach had been proposed in which the dispersion interactions were treated using square-well potentials. In... 

In this work the Ghotbi-Vera mean spherical approximation (GV-MSA) model, coupled with two different expressions for the cation-hydrated diameters, was used in predicting the mean ionic activity coefficients (MIAC) of electrolytes for a number of the mixed-solvent and mixed-salt electrolyte solutions at 25 °C. In all cases the cation diameters in solutions changed with concentration of electrolyte while the anion diameters were considered to be constant and equal to the corresponding Pauling diameters. In application of the GV-MSA model to the electrolyte systems, two different expressions were used for concentration dependency of cation-hydrated diameters, i.e., the GV-MSA1 and GV-MSA2... 

The GV-MSA, the BMCSL-MSA and the Pitzer models were used to correlate the individual, the mean ionic activity coefficients and the osmotic coefficients of symmetric and asymmetric electrolyte solutions. In order to compare the results obtained from the GV-MSA with those obtained from the Pitzer and the BMCSL-MSA models, the same experimental data and the same minimization procedure were used and the new sets of parameters for the BMCSL-MSA and the Pitzer models were also reported. The values for the osmotic coefficients of electrolyte solutions were calculated directly using the values of the mean ionic activity coefficients obtained from the models studied in this work. The results for the... 

In this work a modified form of the Ghotbi-Vera Mean Spherical Approximation model (MGV-MSA) has been used to correlate the mean ionic activity coefficients (MIAC) for a number of symmetric and asymmetric aqueous electrolyte solutions at 25 °C. In the proposed model the hard sphere as well as the electrostatic contributions to the MIAC and the osmotic coefficient of the previously GV-MSA model has been modified. The results of the proposed model for the MIAC of the electrolyte solutions studied in this work are used to directly calculate the values of the osmotic coefficients without introducing any new adjustable parameter. In the MGV-MSA model the cation diameter as well as the relative... 

In this work, the Ion Pair Modified Ghotbi-Vera Mean Spherical Approximation (IP-MGV-MSA) model was proposed to correlate the mean ionic activity coefficients (MIAC) for a number of symmetric and asymmetric aqueous electrolyte solutions at 25 °C. The new model is based on the recently proposed MGV-MSA model by Mortazavi-Manesh et al. In the IP-MGV-MSA model, the effects arising from the ion pair formation in the electrolyte solution was taken into account. Also, in the proposed model, while the cation diameter as well as the relative permittivity of water was considered to be dependent on electrolyte concentration, the anion diameter was independent of electrolyte concentration. The results... 

In this work, the modified Wilson model was used to obtain the activity coefficients of amino acids and simple peptides in non-electrolyte aqueous solutions. The Wilson model was modified using the new local mole fraction proposed by Zhao et al. and non-random case for the reference state. The binary interaction parameters (BIP) of the modified Wilson model for amino acid-water pairs were obtained using the experimental data of the activity coefficients for amino acids available in the literature. The modified Wilson model was also used to correlate the solubility of amino acids in water and the values of Δh/R, Δs/R, and Δg/R of the solutions studied were reported. The results obtained... 

In this work we have applied the Dense System Equation of State (DSEOS) to electrolyte solutions. We have found that this equation of state can predict the density of electrolyte solutions very accurately. It has been tested for different electrolytes solutions at different temperatures and compositions. A hypothetical binary model has been applied to find the dependencies of parameters of this equation of state on solution temperature and composition. Using such a simple model the heat capacity of NaCl solution was calculated for which the absolute percent deviation is less than 2 %. The DSEOS is tested for the following electrolytes: Na2SO4, MgCl2, MgSO4, KCl, NaCl, and NaBr. We found that... 

In this work the effect of electrolytes on hydrate formation was investigated. To do so, a new model was used in predicting the hydrate formation conditions in presence of both single and mixed electrolyte solutions. The new model is based on the van der Waals - Platteeuw hydrate equation of state. In order to evaluate the values for the activity of water in electrolyte solutions the simplified version of the Ghotbi-Vera Mean Spherical Approximation (SGV-MSA) model was used. According to the SGV-MSA model the ions in the solutions are considered as charged hard spheres with different sizes. The values of the parameters for the SGV-MSA model are independent of temperature and depend only on...