Sharif Digital Repository

A new two-dimensional dynamic model was developed to simulate asphaltene precipitation, aggregation, and deposition at isothermal and non-isothermal conditions. The perturbed-chain statistical associating fluid theory equation of state was used to model the asphaltene precipitation. Also, novel kinetic models were used to account for the aggregation and deposition of asphaltene particles. The effect of the aggregate size on the rate of aggregation and deposition was studied, and it was concluded that the rate of asphaltene deposition increases, while the concentration of nanoaggregates increases in the well column. The tendency of smaller aggregates to deposit on the surface could be... 

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... 

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)... 

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...