Narjes Setoodeh - Academia.edu (original) (raw)

Papers by Narjes Setoodeh

Research paper thumbnail of Correlation of the solubility of solid hydrocarbons in supercritical CO2 using different equations of state and mixing rules

Journal of the Serbian Chemical Society, 2022

The supercritical extraction process is a technique that has increasingly been applied in various... more The supercritical extraction process is a technique that has increasingly been applied in various industries in recent years. Solubility determination in the supercritical region is the key feature for this process. However, high expenses and time consuming experiments for this task obligates the need for process modeling. In this study, a thermodynamic model is proposed to correlate the solubility of solid hydrocarbons, namely, 1-hexadecanol, 1-octadecanol, anthracene, benzoin, fluorene, hexamethylbenzene, mandelic acid, naphthalene, palmitic acid, phenanthrene, propyl 4-hydroxybenzoate, pyrene and stearic acid in supercritical conditions, using Peng?Robinson (PR) and Soave?Redlich?Kwong (SRK) equations of state with one-parameter van der Waals (vdW1) and two-parameters (vdW2) and covolume dependent (CVD) mixing rules. For the above combination of equations of state and mixing rules, binary interaction parameters were determined, utilizing the differential evolution optimization st...

Research paper thumbnail of A comparative study for evaluating the performance of five coatings applied on Fe3O4 nanoparticles for inhibition of asphaltene precipitation from crude oil

Journal of Dispersion Science and Technology, 2019

In this study, potential of Graphene oxide (GO), Silica (SiO 2) and Chitosan coatings on Fe 3 O 4... more In this study, potential of Graphene oxide (GO), Silica (SiO 2) and Chitosan coatings on Fe 3 O 4 magnetic nanoparticles was investigated for asphaltene adsorption. The comparison between coated and uncoated nanoparticles was made to evaluate the adsorption performance of coatings. The synthesis of nanoparticles was conducted using the co-precipitation method. All nanoparticles were verified using FT-IR, FESEM and XRD analyses. The experiments were performed in two stages. The different parameters effects such as temperature, initial concentration of nanoparticles and initial asphaltene concentration in the synthetic solutions were investigated in the first sets of experiments. Decrease of nanoparticles concentration and temperature and increase in initial asphaltene concentration resulted in increase of asphaltene adsorption capacities. GO-Fe 3 O 4 showed the highest adsorption efficiency followed by chitosan-Fe 3 O 4 , Fe 3 O 4 and SiO 2-Fe 3 O 4. The average values for adsorption efficiency were 70.47, 66.94, 64.56 and 65.94% for GO-Fe 3 O 4 , chitosan-Fe 3 O 4 , SiO 2-Fe 3 O 4 and Fe 3 O 4 nanoparticles, respectively. In the second stage, the tests with crude oil were performed using the optimum amount of nanoparticles concentration under atmospheric pressure and simulated reservoir conditions. The satisfactory results were obtained for improving adsorption of asphaltenes from crude oil similar to synthetic solution trends. The amount of adsorption increased with increasing pressure. The experimental data for adsorption isotherms models followed the Langmuir model. For adsorption kinetics, the pseudo-second-order Lagergren model showed more precise results. The results showed that we could apply appropriate coatings for inhibition of asphaltene precipitation and enhancement of asphaltene adsorption. However, the asphaltene adsorption amount depends strongly on the kind of coatings applied.

Research paper thumbnail of A thermodynamic approach for correlating the solubility of drug compounds in supercritical CO2 based on Peng-Robinson and Soave-Redlich-Kwong equations of states coupled with van der Waals mixing rules

Journal of the Serbian Chemical Society, 2019

In the present study, the effect of equations of state and mixing rules in a thermodynamic approa... more In the present study, the effect of equations of state and mixing rules in a thermodynamic approach has been investigated for the correlation of the solubility of four new solid pharmaceutical compounds, namely, benzamide, cetirizine, metaxalone and niflumic acid in supercritical CO2 at different temperatures and pressures. Two equations of state, the Peng?Robinson (PR) and Soave?Redlich?Kwong (SRK), coupled with mixing rules of one-parameter van der Waals (vdW1) and two-parameter van der Waals (vdW2) were used, where the binary interaction parameters for these sets of equations were evaluated. The approach correlations and the robustness of the numerical technique were validated with the experimental data previously reported for these compounds at different temperatures and pressures. The calculated average absolute relative deviations (AARD) were 7.51 and 5.31 % for PR/vdW1 and PR/ /vdW2 couples, and 11.05 and 10.24 % for SRK/vdW1 and SRK/vdW2 couples, respectively. It was also fo...

Research paper thumbnail of Adsorption of asphaltene from crude oil by applying polythiophene coating on Fe3O4 nanoparticles

Journal of Dispersion Science and Technology, 2017

The objective of the present study was to investigate the potential use of applying polythiophene... more The objective of the present study was to investigate the potential use of applying polythiophene coating on magnetic Fe 3 O 4 nanoparticles for enhancement of asphaltene adsorption. Two stages of experimental were conducted. In the first stage, the ability of coated nanoparticles for asphaltene adsorption in synthetic asphaltene-toluene solution was evaluated. Effects of parameters such as nanoparticles concentration, initial concentration of asphaltene and temperature were studied. In the second stage, the performance of coated nanoparticles for adsorption of asphaltene from crude oil was investigated under atmospheric pressure and a PVT apparatus was utilized for simulated reservoir conditions. Fe 3 O 4 and Fe 3 O 4-PT MNPs were synthesized using an effective coprecipitation method. The results of the first stage tests indicated that maximum adsorption capacity values for Fe 3 O 4 and Fe 3 O 4-PT MNPs were 0.79 and 1.09 mg.m-2 , respectively. The optimum value of nanoparticles concentration was approximately determined as 10 g.L-1. According to adsorption isotherms and kinetics, the Langmuir and pseudo-second-order Lagergren models were consistent with experimental data, respectively. The average adsorption efficiency for Fe 3 O 4-PT and Fe 3 O 4 MNPs were 2 78.98 and 65.94%, respectively. The results of performed experiments on crude oil showed that Fe 3 O 4-PT MNPs could adsorb asphaltenes from crude oil in a similar trend as synthetic asphaltene-toluene solution.

Research paper thumbnail of Enhancing of asphaltene adsorption onto Fe3O4 nanoparticles coated with metal-organic framework Mil-101 (Cr) for the inhibition of asphaltene precipitation

Journal of Dispersion Science and Technology, 2017

In this study, potential of MOF (Mil-101-Cr)-coated Fe 3 O 4 magnetic nanoparticles (Fe 3 O 4-MOF... more In this study, potential of MOF (Mil-101-Cr)-coated Fe 3 O 4 magnetic nanoparticles (Fe 3 O 4-MOF MNPs) for asphaltene adsorption was investigated for the first time and the results were compared with magnetic Fe 3 O 4 nanoparticles (Fe 3 O 4 MNPs). The coprecipitation method was used for synthesis of both nanoparticles and were verified using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and field emission scanning electron microscopy (FESEM). The initial asphaltene concentration, nanoparticles concentration and temperature were the investigated parameters that influenced the adsorption capacity. Increasing the asphaltene concentration, decreasing mass of nanoparticles and reducing temperature could enhance the maximum asphaltene adsorption capacities of 0.79 for Fe 3 O 4 MNPs and 0.98 mg m-2 for Fe 3 O 4-MOF MNPs. Adsorption isotherms tests showed that Langmuir model was in consistent with experimental data. In addition, evaluation of adsorption kinetics demonstrated that pseudo-second-order Lagergren model predicted the results more precisely. The amount of asphaltene adsorption for Fe 3 O 4-MOF MNPs was higher than Fe 3 O 4 MNPs. This 2 results recommends application of MOF as an appropriate and effective coating for enhancing the asphaltene adsorption.

Research paper thumbnail of Effect of Inlet Downcomer on the Hydrodynamic Parameters of Sieve Trays Using CFD Analysis

Journal of Chemical and Petroleum Engineering, 2011

Nowadays distillation is recognized as one of the economical and the most trustable separation me... more Nowadays distillation is recognized as one of the economical and the most trustable separation methods in chemical, petroleum, gas and petrochemical industries. It is almost used as a first and the most applicable choice in separation methods. In this article the effect of inlet downcomer on the hydrodynamics of industrial sieve tray has been elaborated. The study was carried out by using a 3-D Computational Fluid Dynamics (CFD) method and was confirmed with experimental data. Commercial Ansys CFX 11 package software was used for the CFD analysis. Liquid velocity distribution on the tray was in better agreement with experimental data in comparison with simulation results without including inlet downcomer effect. Hydrodynamic parameters of clear liquid height, froth height and average liquid volume fraction in froth were predicted and compared with two available correlations. It was concluded that for having a better simulation model and hence having a deeper insight into tray perfor...

Research paper thumbnail of Modeling and determination of heat transfer coefficient in a basin solar still using CFD

Desalination, 2011

Even though the use of solar energy in distillation of saline water to produce potable water due ... more Even though the use of solar energy in distillation of saline water to produce potable water due to the increase of fossil fuel cost and environmental consideration has become wide spread, their usages are prohibited by their cost. This required study on the modeling and transport parameters determination of basin solar still for an efficient design. Hence a three-dimensional, two-phase

Research paper thumbnail of Fick and Maxwell-Stefan Diffusion Coefficients in the Ternary Liquid Mixture of Acetone-Methanol-Chloroform

Fick diffusion coefficients are calculated by means of molecular simulation for liquid mixtures c... more Fick diffusion coefficients are calculated by means of molecular simulation for liquid mixtures containing acetone, methanol and chloroform at 1 atm and 298 K for different compositions. For this means, Maxwell-Stefan (MS) diffusion coefficients were calculated using physical properties of the components and thermodynamic factors, Γ, using three different models of Wilson, NRTL and UNIQUAC. Because of the lack of experimental data for Fick diffusivities for ternary system, the validity of the model was tested by comparing Fick diffusivities obtained for binary subsystems with experimental data for acetone- chloroform system. The results were in good agreement. So the Fick coefficients, Maxwell-Stefan diffusion coefficient and the thermodynamic factors were predicted for the ternary mixture as well as its binary subsystems by molecular simulation in a consistent manner. The presented ternary diffusion data should facilitate the development of aggregated predictive models for diffusio...

Research paper thumbnail of A comparative study to evaluate the performance of coated Fe3O4nanoparticles for adsorption of asphaltene from crude oil in bench scale

Journal of Dispersion Science and Technology, 2017

Research paper thumbnail of A thermodynamic approach for correlating the solubility of drug compounds in supercritical CO 2 based on Peng-Robinson and Soave-Redlich-Kwong equations of state coupled with van der Waals mixing rules

Journal of the Serbian Chemical Society, 2019

In the present study, the effect of equations of state and mixing rules in a thermodynamic approa... more In the present study, the effect of equations of state and mixing rules in a thermodynamic approach has been investigated for the correlation of the solubility of four new solid pharmaceutical compounds, namely, benzamide, cetirizine, metaxalone and niflumic acid in supercritical CO 2 at different temperatures and pressures. Two equations of state, the Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK), coupled with mixing rules of one-parameter van der Waals (vdW1) and two-parameter van der Waals (vdW2) were used, where the binary interaction parameters for these sets of equations were evaluated. The approach correlations and the robustness of the numerical technique were validated with the experimental data previously reported for these compounds at different temperatures and pressures. The calculated average absolute relative deviations (AARD) were 7.51 and 5.31 % for PR/vdW1 and PR/ /vdW2 couples, and 11.05 and 10.24 % for SRK/vdW1 and SRK/vdW2 couples, respectively. It was also found that the PR equation of state results in modeling performance better than the SRK equation, and the vdW2 mixing rule better than the vdW1 one. These results obviously demonstrate that the combined approach used in this study is applicable for correlation of solid solubilities of some pharmaceutical compounds in supercritical CO 2. Additionally, a semi-empirical correlation is proposed for estimating the solubility of drug solids in supercritical CO 2 as a function of pressure and temperature.

Research paper thumbnail of Correlation of the solubility of solid hydrocarbons in supercritical CO2 using different equations of state and mixing rules

Journal of the Serbian Chemical Society, 2022

The supercritical extraction process is a technique that has increasingly been applied in various... more The supercritical extraction process is a technique that has increasingly been applied in various industries in recent years. Solubility determination in the supercritical region is the key feature for this process. However, high expenses and time consuming experiments for this task obligates the need for process modeling. In this study, a thermodynamic model is proposed to correlate the solubility of solid hydrocarbons, namely, 1-hexadecanol, 1-octadecanol, anthracene, benzoin, fluorene, hexamethylbenzene, mandelic acid, naphthalene, palmitic acid, phenanthrene, propyl 4-hydroxybenzoate, pyrene and stearic acid in supercritical conditions, using Peng?Robinson (PR) and Soave?Redlich?Kwong (SRK) equations of state with one-parameter van der Waals (vdW1) and two-parameters (vdW2) and covolume dependent (CVD) mixing rules. For the above combination of equations of state and mixing rules, binary interaction parameters were determined, utilizing the differential evolution optimization st...

Research paper thumbnail of A comparative study for evaluating the performance of five coatings applied on Fe3O4 nanoparticles for inhibition of asphaltene precipitation from crude oil

Journal of Dispersion Science and Technology, 2019

In this study, potential of Graphene oxide (GO), Silica (SiO 2) and Chitosan coatings on Fe 3 O 4... more In this study, potential of Graphene oxide (GO), Silica (SiO 2) and Chitosan coatings on Fe 3 O 4 magnetic nanoparticles was investigated for asphaltene adsorption. The comparison between coated and uncoated nanoparticles was made to evaluate the adsorption performance of coatings. The synthesis of nanoparticles was conducted using the co-precipitation method. All nanoparticles were verified using FT-IR, FESEM and XRD analyses. The experiments were performed in two stages. The different parameters effects such as temperature, initial concentration of nanoparticles and initial asphaltene concentration in the synthetic solutions were investigated in the first sets of experiments. Decrease of nanoparticles concentration and temperature and increase in initial asphaltene concentration resulted in increase of asphaltene adsorption capacities. GO-Fe 3 O 4 showed the highest adsorption efficiency followed by chitosan-Fe 3 O 4 , Fe 3 O 4 and SiO 2-Fe 3 O 4. The average values for adsorption efficiency were 70.47, 66.94, 64.56 and 65.94% for GO-Fe 3 O 4 , chitosan-Fe 3 O 4 , SiO 2-Fe 3 O 4 and Fe 3 O 4 nanoparticles, respectively. In the second stage, the tests with crude oil were performed using the optimum amount of nanoparticles concentration under atmospheric pressure and simulated reservoir conditions. The satisfactory results were obtained for improving adsorption of asphaltenes from crude oil similar to synthetic solution trends. The amount of adsorption increased with increasing pressure. The experimental data for adsorption isotherms models followed the Langmuir model. For adsorption kinetics, the pseudo-second-order Lagergren model showed more precise results. The results showed that we could apply appropriate coatings for inhibition of asphaltene precipitation and enhancement of asphaltene adsorption. However, the asphaltene adsorption amount depends strongly on the kind of coatings applied.

Research paper thumbnail of A thermodynamic approach for correlating the solubility of drug compounds in supercritical CO2 based on Peng-Robinson and Soave-Redlich-Kwong equations of states coupled with van der Waals mixing rules

Journal of the Serbian Chemical Society, 2019

In the present study, the effect of equations of state and mixing rules in a thermodynamic approa... more In the present study, the effect of equations of state and mixing rules in a thermodynamic approach has been investigated for the correlation of the solubility of four new solid pharmaceutical compounds, namely, benzamide, cetirizine, metaxalone and niflumic acid in supercritical CO2 at different temperatures and pressures. Two equations of state, the Peng?Robinson (PR) and Soave?Redlich?Kwong (SRK), coupled with mixing rules of one-parameter van der Waals (vdW1) and two-parameter van der Waals (vdW2) were used, where the binary interaction parameters for these sets of equations were evaluated. The approach correlations and the robustness of the numerical technique were validated with the experimental data previously reported for these compounds at different temperatures and pressures. The calculated average absolute relative deviations (AARD) were 7.51 and 5.31 % for PR/vdW1 and PR/ /vdW2 couples, and 11.05 and 10.24 % for SRK/vdW1 and SRK/vdW2 couples, respectively. It was also fo...

Research paper thumbnail of Adsorption of asphaltene from crude oil by applying polythiophene coating on Fe3O4 nanoparticles

Journal of Dispersion Science and Technology, 2017

The objective of the present study was to investigate the potential use of applying polythiophene... more The objective of the present study was to investigate the potential use of applying polythiophene coating on magnetic Fe 3 O 4 nanoparticles for enhancement of asphaltene adsorption. Two stages of experimental were conducted. In the first stage, the ability of coated nanoparticles for asphaltene adsorption in synthetic asphaltene-toluene solution was evaluated. Effects of parameters such as nanoparticles concentration, initial concentration of asphaltene and temperature were studied. In the second stage, the performance of coated nanoparticles for adsorption of asphaltene from crude oil was investigated under atmospheric pressure and a PVT apparatus was utilized for simulated reservoir conditions. Fe 3 O 4 and Fe 3 O 4-PT MNPs were synthesized using an effective coprecipitation method. The results of the first stage tests indicated that maximum adsorption capacity values for Fe 3 O 4 and Fe 3 O 4-PT MNPs were 0.79 and 1.09 mg.m-2 , respectively. The optimum value of nanoparticles concentration was approximately determined as 10 g.L-1. According to adsorption isotherms and kinetics, the Langmuir and pseudo-second-order Lagergren models were consistent with experimental data, respectively. The average adsorption efficiency for Fe 3 O 4-PT and Fe 3 O 4 MNPs were 2 78.98 and 65.94%, respectively. The results of performed experiments on crude oil showed that Fe 3 O 4-PT MNPs could adsorb asphaltenes from crude oil in a similar trend as synthetic asphaltene-toluene solution.

Research paper thumbnail of Enhancing of asphaltene adsorption onto Fe3O4 nanoparticles coated with metal-organic framework Mil-101 (Cr) for the inhibition of asphaltene precipitation

Journal of Dispersion Science and Technology, 2017

In this study, potential of MOF (Mil-101-Cr)-coated Fe 3 O 4 magnetic nanoparticles (Fe 3 O 4-MOF... more In this study, potential of MOF (Mil-101-Cr)-coated Fe 3 O 4 magnetic nanoparticles (Fe 3 O 4-MOF MNPs) for asphaltene adsorption was investigated for the first time and the results were compared with magnetic Fe 3 O 4 nanoparticles (Fe 3 O 4 MNPs). The coprecipitation method was used for synthesis of both nanoparticles and were verified using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and field emission scanning electron microscopy (FESEM). The initial asphaltene concentration, nanoparticles concentration and temperature were the investigated parameters that influenced the adsorption capacity. Increasing the asphaltene concentration, decreasing mass of nanoparticles and reducing temperature could enhance the maximum asphaltene adsorption capacities of 0.79 for Fe 3 O 4 MNPs and 0.98 mg m-2 for Fe 3 O 4-MOF MNPs. Adsorption isotherms tests showed that Langmuir model was in consistent with experimental data. In addition, evaluation of adsorption kinetics demonstrated that pseudo-second-order Lagergren model predicted the results more precisely. The amount of asphaltene adsorption for Fe 3 O 4-MOF MNPs was higher than Fe 3 O 4 MNPs. This 2 results recommends application of MOF as an appropriate and effective coating for enhancing the asphaltene adsorption.

Research paper thumbnail of Effect of Inlet Downcomer on the Hydrodynamic Parameters of Sieve Trays Using CFD Analysis

Journal of Chemical and Petroleum Engineering, 2011

Nowadays distillation is recognized as one of the economical and the most trustable separation me... more Nowadays distillation is recognized as one of the economical and the most trustable separation methods in chemical, petroleum, gas and petrochemical industries. It is almost used as a first and the most applicable choice in separation methods. In this article the effect of inlet downcomer on the hydrodynamics of industrial sieve tray has been elaborated. The study was carried out by using a 3-D Computational Fluid Dynamics (CFD) method and was confirmed with experimental data. Commercial Ansys CFX 11 package software was used for the CFD analysis. Liquid velocity distribution on the tray was in better agreement with experimental data in comparison with simulation results without including inlet downcomer effect. Hydrodynamic parameters of clear liquid height, froth height and average liquid volume fraction in froth were predicted and compared with two available correlations. It was concluded that for having a better simulation model and hence having a deeper insight into tray perfor...

Research paper thumbnail of Modeling and determination of heat transfer coefficient in a basin solar still using CFD

Desalination, 2011

Even though the use of solar energy in distillation of saline water to produce potable water due ... more Even though the use of solar energy in distillation of saline water to produce potable water due to the increase of fossil fuel cost and environmental consideration has become wide spread, their usages are prohibited by their cost. This required study on the modeling and transport parameters determination of basin solar still for an efficient design. Hence a three-dimensional, two-phase

Research paper thumbnail of Fick and Maxwell-Stefan Diffusion Coefficients in the Ternary Liquid Mixture of Acetone-Methanol-Chloroform

Fick diffusion coefficients are calculated by means of molecular simulation for liquid mixtures c... more Fick diffusion coefficients are calculated by means of molecular simulation for liquid mixtures containing acetone, methanol and chloroform at 1 atm and 298 K for different compositions. For this means, Maxwell-Stefan (MS) diffusion coefficients were calculated using physical properties of the components and thermodynamic factors, Γ, using three different models of Wilson, NRTL and UNIQUAC. Because of the lack of experimental data for Fick diffusivities for ternary system, the validity of the model was tested by comparing Fick diffusivities obtained for binary subsystems with experimental data for acetone- chloroform system. The results were in good agreement. So the Fick coefficients, Maxwell-Stefan diffusion coefficient and the thermodynamic factors were predicted for the ternary mixture as well as its binary subsystems by molecular simulation in a consistent manner. The presented ternary diffusion data should facilitate the development of aggregated predictive models for diffusio...

Research paper thumbnail of A comparative study to evaluate the performance of coated Fe3O4nanoparticles for adsorption of asphaltene from crude oil in bench scale

Journal of Dispersion Science and Technology, 2017

Research paper thumbnail of A thermodynamic approach for correlating the solubility of drug compounds in supercritical CO 2 based on Peng-Robinson and Soave-Redlich-Kwong equations of state coupled with van der Waals mixing rules

Journal of the Serbian Chemical Society, 2019

In the present study, the effect of equations of state and mixing rules in a thermodynamic approa... more In the present study, the effect of equations of state and mixing rules in a thermodynamic approach has been investigated for the correlation of the solubility of four new solid pharmaceutical compounds, namely, benzamide, cetirizine, metaxalone and niflumic acid in supercritical CO 2 at different temperatures and pressures. Two equations of state, the Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK), coupled with mixing rules of one-parameter van der Waals (vdW1) and two-parameter van der Waals (vdW2) were used, where the binary interaction parameters for these sets of equations were evaluated. The approach correlations and the robustness of the numerical technique were validated with the experimental data previously reported for these compounds at different temperatures and pressures. The calculated average absolute relative deviations (AARD) were 7.51 and 5.31 % for PR/vdW1 and PR/ /vdW2 couples, and 11.05 and 10.24 % for SRK/vdW1 and SRK/vdW2 couples, respectively. It was also found that the PR equation of state results in modeling performance better than the SRK equation, and the vdW2 mixing rule better than the vdW1 one. These results obviously demonstrate that the combined approach used in this study is applicable for correlation of solid solubilities of some pharmaceutical compounds in supercritical CO 2. Additionally, a semi-empirical correlation is proposed for estimating the solubility of drug solids in supercritical CO 2 as a function of pressure and temperature.