Sharif Digital Repository

In this work, a corresponding-states correlation is presented for prediction of crude oil density in an undersaturated state. The correlation is the extension of corresponding-states liquid densities correlation. The modified corresponding states liquid densities method for predicting saturated liquid densities was coupled with the Tait equation to predict undersaturated densities. Correlations are proposed for the temperature-dependence of Tait equation parameters. Applying proper mixing and combining rules, we calculated the density of 26 crude-oil samples, mainly from Iranian reservoirs. The mixtures included a variety of compositions including N2, H 2S, CO2, and hydrocarbons. The AAD%... 

The effects of liquid density variation at the bubble surface on the dynamics of a single acoustic cavitation bubble are numerically studied. The Gilmore model together with a comprehensive hydrochemical model is used. The evaporation and condensation of water vapor are included in the hydrochemical model. The simulation results are compared to those resulting from the widely known Keller-Miksis model, which assumes a constant liquid density at the bubble surface. The numerical results for a single argon bubble in water reveal that the pressure and the temperature inside the bubble in collapse phase significantly increase, when the non-constant liquid density is used. These differences... 

A set of conventional feedforward multilayer neural networks have been proposed to predict basic properties (e.g., critical temperature (T c), critical pressure (Pc), critical volume (V c), acentric factor (ω) and molecular weight (MW)) of pure compounds and petroleum fractions based on their normal boiling point (T b) and liquid density at 293 K. The accuracy of the method is evaluated by its application for basic property estimation of various components not used in the development of the method. Furthermore, the performance of the method is compared against the performance of the other alternatives reported as the most accurate and general methods for basic property prediction. Results of... 

It is widely accepted that under reservoir conditions there exists some degree of block to block interaction that may result in capillary continuity. The formation of liquid bridges causing capillary continuity between blocks will significantly affect ultimate recovery. In this work a mechanistic model with original thought from hydrology for a given steady feeding volumetric flow rate from an upper block (under both gravity and matrix capillary pressure effects) is developed which considers the formation, growth and detachment of pendant liquid droplets perpendicular to the horizontal fracture (assuming to be smooth and parallel walled) between blocks. The length of detached liquid droplet... 

Cubic plus association (CPA) equations of state (EoSs) have found great interest in describing thermodynamic properties of associating fluids. In CPA EoSs, the association contribution proposed by Wertheim is added to cubic EoSs such as Soave–Redlich–Kwong (SRK) and Peng–Robinson (PR). In different developments of CPA EoSs, adjusting the pure component properties such as critical temperature and critical pressure in addition to the association parameters is proposed in some works in the literature. In this work, the PR EoS has been extended to water, phenol, and a number of alcohols (methanol up to dodecanol) by addition of the Wertheim association contribution. In contrast to other CPA... 

Cubic plus association (CPA) equations of state (EoSs) have found great interest in describing thermodynamic properties of associating fluids. In CPA EoSs, the association contribution proposed by Wertheim is added to cubic EoSs such as Soave–Redlich–Kwong (SRK) and Peng–Robinson (PR). In different developments of CPA EoSs, adjusting the pure component properties such as critical temperature and critical pressure in addition to the association parameters is proposed in some works in the literature. In this work, the PR EoS has been extended to water, phenol, and a number of alcohols (methanol up to dodecanol) by addition of the Wertheim association contribution. In contrast to other CPA... 

In this study, the structural and electronic properties of a carbohydrate-based (6-amino-6-deoxy hexopyranose [ADHP]) ionic liquid were explored. The interactions among 3 anions (BF4 ¯, PF6 ¯, and ClO4 ¯) and ADHP as cation were investigated at B3LYP/6-311++G(d,p) level. Based on the calculated interaction energy, it was found that PF6 ¯ anion has the highest interaction energy with ADHP. It was found that the hydrogen bonds play an important role in the interaction of ion pairs. The nature of hydrogen bonds in the optimized ion pars was analyzed by using natural bond orbital analysis and the quantum theory of atoms in molecules. The linear relationship between electron density at the bond... 

The solubility of sulfur dioxide (SO2) and carbon dioxide (CO2) at P = 1 bar in a series of imidazolium-based room-temperature ionic liquids (RTILs) is calculated by Monte Carlo simulation in NPT ensemble using the OPLS-UA force field and Widom particle insertion method. The studied ILs were 1-butyl-3-methylimidazolium ([bmim]+) tetrafluoroborate ([BF4]-), [bmim]+ hexafluorophosphate ([PF 6]-), [bmim]+ bromide ([Br]-), [bmim]+ nitrate ([NO3]-), [bmim]+ bis-(trifluoromethyl) sulfonylimide ([Tf2N]-), and 1-ethyl-3-methylimidazolium tetrafluoroborate ([emim][BF4]). To validate the simulations, the liquid density of studied ILs and the solubility of CO2 in [bmim][PF6] was compared with... 

Vapor pressure and liquid density of 20 pure alcohols were correlated using an artificial neural network (ANN) system and statistical associating fluid theory (SAFT) equation of state. The SAFT equation has five adjustable parameters as temperature-independent segment diameter, square-well energy, number of segment per chain, association energy and association volume. These parameters can be obtained by a non-linear regression method using the experimental vapor pressure and liquid density data. In continue, the vapor pressure and liquid densities of pure alcohols were estimated by using an artificial neural network (ANN) system. In the neural network system, it is assumed that thermodynamic... 

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...