Search for: ionic-activity-coefficient
Correlation of the mean ionic activity coefficients in 1:1 electrolyte solutions using the GV-MSA model, Article Iranian Journal of Science and Technology, Transaction B: Technology ; Volume 27, Issue 2 , 2003 , Pages 269-278 ; 03601307 (ISSN) ; Taghikhani, V ; Azimi, G ; Sharif University of Technology
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...
Application of the non-primitive MSA-based models in predicting the activity and the osmotic coefficients of aqueous electrolyte solutions, Article Fluid Phase Equilibria ; Volume 221, Issue 1-2 , 2004 , Pages 189-196 ; 03783812 (ISSN) ; Ghotbi, C ; Taghikhani, V ; Azimi, G ; Sharif University of Technology
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...
A new hydration model in correlating the mean ionic activity coefficient and density of aqueous electrolyte solutions, Article Journal of Dispersion Science and Technology ; Volume 31, Issue 5 , 2010 , Pages 641-649 ; 01932691 (ISSN) ; Taghikhani, V ; Vossoughi, M ; Sharif University of Technology
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...
Modification of the GV-MSA model in obtaining the activity and osmotic coefficients of aqueous electrolyte solutions, Article Fluid Phase Equilibria ; Volume 240, Issue 2 , 2006 , Pages 167-172 ; 03783812 (ISSN) ; Taghikhani, V ; Ghotbi, C ; Sharif University of Technology
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...
Application of the GV-MSA model to the electrolyte solutions containing mixed salts and mixed solvents, Article Fluid Phase Equilibria ; Volume 231, Issue 1 , 2005 , Pages 67-76 ; 03783812 (ISSN) ; Taghikhani, V ; Ghotbi, C ; Sharif University of Technology
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...
A new model in correlating the activity coefficients of aqueous electrolyte solutions with ion pair formation, Article Fluid Phase Equilibria ; Volume 261, Issue 1-2 , December , 2007 , Pages 313-319 ; 03783812 (ISSN) ; Taghikhani, V ; Ghotbi, C ; Sharif University of Technology
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...
Experimental study and modelling of saturation molality of NaCl in quaternary aqueous electrolyte solutions at various temperatures, Article Desalination ; Volume 267, Issue 2-3 , February , 2011 , Pages 228-232 ; 00119164 (ISSN) ; Roayaei, E ; Taghikhani, V ; Safekordi, A ; Zahedzadeh, M ; Sharif University of Technology
Saturation molality of sodium chloride in mixed aqueous electrolyte solutions containing NaCl, CaSO4 and Na2SO4 was measured at atmospheric pressure over the wide range of temperatures using an equilibrium cell equipped with an accurate temperature control system. The measurements were carried out at different CaSO4 and Na2SO4 concentrations. In order to check the repeatability of the experimental data for the saturation molality of NaCl, the experiments were replicated three times and the values reported were the average of the replicas. To model the data generated in this work, the PDH+UNIFAC-Dortmund activity coefficient model was used. The model used to predict the mean ionic activity...
Thermodynamic properties of aqueous salt containing urea solutions, Article Fluid Phase Equilibria ; Volume 325 , July , 2012 , Pages 71-79 ; 03783812 (ISSN) ; Held, C ; Samieenasab, A ; Ghotbi, C ; Abdekhodaie, M. J ; Taghikhani, V ; Sadowski, G ; Sharif University of Technology
Urea and inorganic ions are present in some of the physiological systems, e.g. urine. Understanding the interactions in urea/salt/water is a preliminary step to shed light on more complicated behavior of multi-component physiological systems. State-of-the-art models as well as thermophysical properties can be applied to understand the interactions in these systems. In order to determine such interactions densities, mean ionic activity coefficients (MIACs), osmotic coefficients, and solubility were measured in aqueous solutions of urea and different salts. Densities were determined at temperatures 293.15, 303.15, and 313.15K for urea concentrations up to 3molal and up to 1molal for NaCl....
Application of a new gibbs energy equation to model a distillation tower for production of pure ethanol, Article Chemical Engineering and Technology ; Volume 34, Issue 10 , 2011 , Pages 1715-1722 ; 09307516 (ISSN) ; Pazuki, G ; Vossoughi, M ; Hemmati, S ; Saboohi, Y ; Sharif University of Technology
A steady-state equilibrium-stage model based on MESH equations was proposed to simulate saline extractive distillation columns. The interaction parameters between each component of water-CaCl 2 and ethanol-water were obtained from mean ionic activity coefficients and vapor-liquid equilibrium (VLE) experimental data. Additionally, the interaction coefficients for the ethanol-CaCl 2 pair were fitted to experimental VLE data which were reported by Nishi for the ethanol-water-CaCl 2 system. It should be noted that adjustable parameters between each pair were considered to be temperature dependent. The results confirmed that the proposed model could accurately predict the experimental...
Thermodynamic modeling of the KCl + formamide/glucose/proline + water ternary systems and activity coefficient prediction based on artificial neural network, Article Journal of Molecular Liquids ; Volume 207 , 2015 , Pages 136-144 ; 01677322 (ISSN) ; Ghalami Choobar, B ; Sharif University of Technology
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....