Sharif Digital Repository

Perturbed-Chain Statistical Associating Fluid Theory Equation of State (PC-SAFT EoS) requires cross interaction parameter for each binary pair in the mixture. For real mixtures, these parameters should be corrected by binary interaction coefficients (kij's). The values of kij's are tuned by an optimization method in order to minimize the deviation from equilibrium data. The Particle Swarm Optimization (PSO) algorithm is employed for optimization of kij's due to the continuous nature of kij and highly nonlinear nature of PC-SAFT EoS. Although kij can be adjusted using the mentioned algorithm, it is cumbersome and highly time-consuming because the optimization should be performed for each pair... 

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... 

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 +... 

A discrete bubble model has been developed taking into account multiple bubble-bubble interactions and a delayed coalescence method. The obtained simulation results were compared with experimental data reported in literature. The simulation results predicted by the developed model indicate clearly that the multiple interactions of bubbles lead to more reasonable results than those predicted by a binary interaction model. In addition, two types of interaction models were applied and predicted results were compared. The frequency of gas bubbles passing through the bed cross section versus bed height follows the same trend as the experimental data. A new modified discrete bubble model has been... 

In this study, central composite design (CCD) at five levels (-1.63, -1, 0, +1, +1.63) combined with response surface methodology (RSM) have been applied to optimise methanol carbonylation using a ruthenium-promoted iridium catalyst in a homogenous phase. The effect of seven process variables, including temperature, pressure, iridium, ruthenium, methyl iodide, methyl acetate and water concentrations, as well as their binary interactions, were modelled. The determined R 2 values greater than 0.9 for the rate and methane formation data confirmed that the quadratic equation properly fitted the obtained experimental data. The optimum conditions for maximum rate and minimum methane formation were... 

In this research, synthesis of lanthanum oxide nanoparticles using supercritical water as a reaction medium in batch type reactor was studied. The crystallographic identity and morphology of the synthesized nanoparticles were investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The XRD patterns indicate that the well-crystallized lanthanum oxide nanocrystals can be easily obtained under the current synthetic conditions. The effect of four parameters includes temperature, reaction time; primary concentration of aqueous solution of lanthanum (III) nitrate and pH of starting solution on reaction efficiency, particle size and the BET surface area were investigated... 

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... 

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...