فهرست مطالب

Iranian Journal of Chemistry and Chemical Engineering - Volume:40 Issue: 6, Nov-Dec 2021
  • Volume:40 Issue: 6, Nov-Dec 2021
  • تاریخ انتشار: 1401/03/01
  • تعداد عناوین: 31
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  • Esmail Vessally *, Mahla Musavi, MohammadReza Poor Heravi Pages 1720-1736

    In this research, the adsorption behavior of pristine, Si- and Ga- and Al-doped graphene is investigated toward ethionamide (EA) using Density Functional Theory (DFT) calculations. Total energies and geometry optimizations were obtained and Density of State (DOS) analysis was performed at B3lyp level of theory with the 6-31G* basis set. The adsorption energy (Ead) between EA and the pristine, Si-, Ga- and Al-doped graphene is changed in the following order: Ga-Complex-N(ring) > Al- Complex-N(ring) > Si-Complex-N(ring) > Complex-S. The Ead of the Graphene-EA complex is -2.552 kcal/mol, which is low and shows that the adsorption is physical. The % ΔEg= -59.61% for Si-doped graphene EA shows the high sensitivity of the Si-doped graphene to the adsorption of EA. The Eg for Ga-doped graphene-EA decreases significantly from 2.35 to 1.11 eV and the rate of change is %ΔEg = -52.75%, showing the high sensitivity of Ga-doped graphene to the adsorption of EA. However, the high Ead of -36.66 kcal/mol shows that the Ga-doped graphene can be used as a suitable sensing device only at higher temperatures. The % ΔEg= -58.98 % for Al-doped graphene-EA indicates the high sensitivity of the Al-doped graphene to the adsorption of EA. The Ead of -34.53 kcal/mol can be used as a suitable sensing device only at higher temperatures.

    Keywords: Adsorption, Graphene, Etionamide, DFT calculations, Optimization
  • Nayer Shahbazi, Ahmad Rajaei *, Meisam Tabatabaei, Afshin Mohsenifar, Hojatollah Bodaghi Pages 1737-1748
    The aim of this study was to obtain a stable Pomegranate Seed Oil (PSO)-in-water Pickering emulsion stabilized by chitosan (CS)-capric acid (CA) nanogels incorporating Thyme Essential Oil (TEO). Firstly, CS-CA nanogels were synthesized at different ratios of CA to CS (0.25:1, 0.5:1, and 0.75:1). Scanning electron microscopy images showed that by increasing the CA to CS ratio, the uniformity of particles was increased. In the following, CS-CA nanogels were used to stabilize PSO-in-water emulsions. The findings revealed that the most stable emulsion was obtained at pH 8, CA-to-CS ratio of 0.5:1, and an oil-to-nanogel ratio of 10:1. In addition, the interfacial structure of emulsion droplets indicated that the CS-CA nanogels contributed to the stability of emulsion through both the formation of an interface layer and a network on the surface of dispersed droplets. Finally, the oxidative stability and microstructure of the emulsions stabilized by CS-CA nanogels incorporating TEO (0.1%) were evaluated. The results showed that TEO increased the oxidative stability of the emulsion and reduced the emulsion droplet size.
    Keywords: Chitosan-capric acid nanogels, Pomegranate seed oil, Pickering emulsion, Thyme essential oil, Oxidative stability
  • Fariba Fathirad *, Fateme Ziaadini, Ali Mostafavi, Tayebeh Shamspur Pages 1749-1756
    In the present work, a three-layer magnetic nanocomposite containing ceria nanoparticles was synthesized as Fe3O4@SiO2@CeO2 by precipitation method and after characterization was used as a photocatalyst for the degradation of malachite green dye from industrial wastewater under visible light. The influence parameters such as pH, initial dye concentration, photocatalyst amount, and process time on the malachite green dye removal were investigated and optimized. Under optimum conditions (pH = 9, the photocatalyst amounts of 0.05 g, the reaction time of 40 min, and the initial solution concentration of 10 ppm), the results indicated that the synthesized nanostructure has a desirable performance for dye. The removal percentage remained higher than 90% after 5 times use and the photocatalyst could be quickly separated from the aqueous solution with the assistance of the external magnetic field. According to the calculation, the second pseudo-model was selected as the kinetic model of photocatalytic degradation.
    Keywords: Three-layer magnetic nanostructure, Semiconductor, Photocatalytic degradation, Malachite green, Visible light
  • Shahin Sobhani, Mehdi Pordel *, Safar Ali Beyramabadi Pages 1757-1764
    New Ni(II) complexes were synthesized from the coordination of the ligands derived from benzo[1,2-c]isoxazoles with Ni(II) cation.. The structure of the new complexes was characterized by elemental analyses, mass, and IR spectra. To gain a deeper insight into the geometry of Ni(II) complexes, a quantum chemical investigation was performed. The obtained results from experimental and theoretical arguments confirmed a square-planar geometry for Ni(II) complexes. These complexes were examined as homogeneous catalysts for the transesterification of corn oil with methanol. The structure of the obtained product was confirmed by 1H NMR analysis. The catalytic results showed that the new Ni(II) complexes can be considered potential candidates for the development of a new catalytic system for biodiesel production.
    Keywords: Benzo[1, 2-c]isoxazole, Ni(II) complex, catalyst, Biodiesel, Transesterification
  • Salman Hajian Ghayemi, Abdolreza Samimi *, Masoud Nematollahi Pages 1765-1776
    In this investigation, fresh and regenerated Ni-W-Alumina-Zeolite industrial hydrocracking catalysts are characterized via several analyzing methods, including XRF, XRD, BET adsorption, FT-IR, FESEM-EDS, and TGA-DTA to understand the phenomena affecting trend towards their deactivation. The XRD patterns represented the presence of main phases of Al2O3/Y-zeolite as support and NiWO4/WO3 as active compounds. For the catalysts subjected to a three-year reactor operation/regeneration cycle, the XRF analysis revealed elemental enhancement of Fe, Na, V, Pb, Sb, and S, mostly from an outsourced environment. The BET and BJH analyses represented cylindrical shape mesoporosity for the samples, while the total pore-specific surface area and volume were reduced from 287.73 m2/g  and 0.46 cm3/g to 160.84 m2/g and 0.40 cm3/g for fresh and regenerated samples, respectively. The latter results indicated possibly filling the pores with impurities and/or sintering of pores. By considering FESEM images, the smooth surface of the fresh sample and indented/corroded characteristics of the regenerated one were seen. The variety of analyses portrayed the increasing trend of the poisoning factors and the structural malfunction of the catalysts towards irreversible deactivation.
    Keywords: Ni-W catalyst, Deactivation, Poisoning, Sintering
  • Sara Beshkoofeh, Bahram Ghalami-Choobar *, Zahra Shahidian, Shahin Khosharay Pages 1777-1792
    The subject of this work is to study the effect of pH, molybdenum content and some of the transition metals (such as Vanadium, Chromium, Manganese, Iron, Cobalt, Nickel) on the catalyst properties and performance of oxidative desulfurization (ODS). To achieve this aim, the mesoporous 5%Co10%Mo/γ-Al2O3 catalyst was prepared by incipient wetness impregnation method. Then, the as-synthesized catalysts were characterized by X-Ray Diffraction (XRD), N2-adsorption/desorption, and Inductively Coupled Plasma Mass Spectrometry (ICP-MS), Scanning Electron Microscopy (SEM) and NH3-Temperature Programmed Desorption (NH3-TPD). The catalytic activity was measured with catalytic ODS setup. The catalyst with 10wt%Mo (as an active metal) and 5wt%Co content (as a promoter) at pH=4 represented the optimum performance for oxidative desulfurization. The 5%Co10%Mo/γ-Al2O3 has the Surface Area =170.61 m2/g, Pore Volume =0.64 cm3/g, Average Pore Diameter = 15.18nm when these parameters were increased, it led to the best operation condition of sulfur removal. The SEM images showed that the application of Co and Mo metals reaches more homogenous impregnation. The NH3-TPD result introduced the strong acidic sites of 5%Co10%Mo/γ-Al2O3. The obtained results proved that the total sulfur (all kind of sulfur in the feed) of light naphtha decreased from 160ppm to 20ppm during ODS process with the optimized catalyst. In that case, the kinetics of oxidative desulfurization of the optimized catalyst (5%Co10%Mo/γ-Al2O3) was studied. Moreover, a kinetic affinity model was utilized to determine the kinetic parameters of this reaction and the modeling results showed good agreement with experimental data.
    Keywords: Oxidative desulfurization catalyst, MoCo, γ-Al2O3, light naphtha, Kinetics Affinity Model
  • Madhusudhan Rao V *, Venkatakrishna Manikala Pages 1793-1799
    A novel series of (E)-5-((1-Phenyl-1H-1,2,3-triazol-4-yl)methylene)-2-thioxothiazolidin-4-one analogues were designed for anticancer activity and synthesized by the reaction of 1-Aryl-1H-1,2,3-triazole-4-carbaldehydes with 2-thioxothiazolidin-4-one. The synthesized compounds were analyzed by IR, 1HNMR, 13CNMR, and mass spectrometry. The compounds were screened for in vitro anticancer activity using four cancer cell lines viz. Lung (A549), Colon (HT-29), Breast (MCF-7), and Melanoma (A375), resulted from most of the compounds showed moderate to better activity against all cell lines, among them the compounds 6g and 6j were the most potent in all investigated cancer cell lines (lung, colon, breast, and melanoma. The compounds were studied in molecular docking studies, which resulted in a significant dock score shown with all the compounds. The compounds 6i and 6b have shown the highest dock scores.
    Keywords: Anticancer activity, 2-Tioxhothiazolidin-4-one, 1, 2, 3-triazole, Molecular docking studies
  • Abayomi Olatunde *, Olaosebikan Olafadehan, Mohammed Usman Pages 1800-1813
    A two-dimensional mathematical model was developed for a porous heterogeneous catalytic fixed bed reactor. The model took into account the effect of heat generated by adsorption of reactants on the catalyst surface and heat transfer from the fluid phase to the surroundings which have a significant effect on reactor performance, especially at reactor hotspot. The developed model predicted the partial oxidation of methanol to formaldehyde on FeO/MoO3 catalyst, a complex reaction system. Excellent agreement was achieved when the resultant simulated results were compared with experimental data in the literature. The proposed model predicted the location of the hotspot at a dimensionless distance of 0.4413 (= 0.0309 m) the same as the experiment value but with a temperature of 619 K compared with an experimental value of 622 K. The conventional heterogeneous and pseudo-homogeneous models predicted the hotspot temperature to be about 8 K and 34 K lower than the experimental value respectively.
    Keywords: heterogeneous, Pseudo-homogeneous, Non-isothermal, Orthogonal collocation, Hotspot
  • Sandeep Singh, Himadri Ghatak * Pages 1814-1839
    Electrooxidation (EO) studies were conducted on Wheat Straw Soda Lignin (WSSL), and bagasse soda lignin (BSL) for the synthesis of aromatic carbonyl compounds (COarom). Stainless Steel (SS), and titanium mixed metal oxide (TiMMO) anodes were used for the purpose. Experiments were designed according to Box Behnken Design (BBD), and Central Composite Design (CCD). The process parameters, namely EO current density, and EO time, were optimized using Response Surface Methodology (RSM) to obtain the maximum yields of different COarom, individually as well as collectively. A maximum of 30% cumulative yield of COarom, based on the total amount of lignin, could be obtained from BSL under optimized conditions of 2.24 mA/cm2 EO current density, and 18 h EO time using SS anode. Among individual compounds, vanillin was produced with the highest yield of 20% of starting BSL with EO current density, and EO time optimized to 5.87 mA/cm2, and 18 h, respectively. In all cases, SS anode fares better than TiMMO anode.
    Keywords: Electrooxidation, soda lignin, aromatic carbonyl compounds, Anode, Response surface methodology
  • Mahendra Raj *, Jaykumar Maheta, Smit Patel, Lata Raj Pages 1840-1848
    Bisphenol-A, formaldehyde, and epichlorohydrin form hexafunctional epoxy resin. The curing behavior of resin has been evaluated by using five different hardeners viz. diethyl triamine, triethyl tetraamine, phenalkamine, polyamido amines, and polyamides. The resin was further characterized by epoxy equivalent weight, hydrolyzable chlorine content, volatile content, viscosity and rise in viscosity, weight average molecular weight, and Fourier Transform InfraRed (FT-IR).  spectroscopy The hexafunctional epoxy resin was used for the preparation of jute and glass-reinforced composites. All composites were characterized by their mechanical properties, thermal properties, and chemical resistance.
    Keywords: Epoxy resin, Fiber, composites, FT-IR, hexafunctional
  • Fazal- Rehman, Shahid Adeel *, Memoona Pervaiz, Aminoddin Haji, Wafa Haddar, Muhammad Hussaan, Nimra Amin, Ahlem Guesmi Pages 1849-1859
    Green technologies in isolation and extraction of natural products have always been welcomed due to awareness about environmental standards for global health. The current research was performed to use microwave energy to extract natural dyes from lac insects and their application onto nylon fabric. For isolation of natural dye from lac insect in acidic and acidified methanolic media Mw irradiation for 3, 5, and 7 min. has been given and used to dye nylon fabric. Bio-mordants from herbal-based sources such as Acacia and Turmeric were also employed to develop new shades and to improve fastness properties in comparison with metallic salts of Al (Alum) and Fe (ferrous sulfate). The evidence from this study suggests an increase in color yield (K/S) with the use of 5 min. of microwave energy when acid solubilized extract of lac insect was used to dye onto nylon fabric. It has been demonstrated also that in the case of the pre-mordanting method, 5% of Acacia and 1% of Turmeric give the best fastness properties and the highest color yields.  It is concluded that Microwave energy has an excellent efficacy to isolate the colorant, whereas the addition of bio-mordants has made the process more sustainable and greener.
    Keywords: Acacia, Alum, Iron sulfate, Lac dye, Microwave, Nylon, Sustainability, Turmeric
  • Shahram Shahmohammadi-Kalalagh *, Farshid Taran Pages 1860-1867
    In order to better management of contaminants in porous media, it is essential to recognize their transport behavior using appropriate models. In this research, Convection-Dispersion Equation (CDE) and Mobile-ImMobile (MIM), as physical equilibrium and non-equilibrium models, respectively, were used to simulate the bromide transport (as a conservative contaminant) through undisturbed and saturated clay loam and sandy loam soil columns (diameter of 10 and height of 40 cm). To simulate the transport, CXTFIT2.1 software, in which the CDE and the MIM models are included, was used. The values of mass transfer coefficient (ω<100) and mobile water fraction (β<1) as an indicator for determining the equilibrium and non-equilibrium indicated that bromide transport behavior within these columns was anomalous or non-Fickian transport. Hence, non-equilibrium and the MIM model are suitable and more efficient than the Fickian-based CDE. The fitted breakthrough curves (BTCs) and the larger determination coefficient (R2) and the smaller Root Mean Square Error (RMSE) values of the MIM model compared to those of the CDE confirmed the effectiveness of the MIM model in simulating bromide transport in the clay loam and sandy loam soil columns.
    Keywords: Anomalous transport, Breakthrough curve, Bromide, CDE model, CXTFIT2.1 software, MIM model
  • Sakha Pezhhanfar, Mahmoud Zarei *, Tohid Shekaari Teymourloue, Mahdi Khalilzadeh Pages 1868-1881
    Dyes are utilized in several plants and factories. Contaminated wastewaters containing dyes cause many illnesses and have many adverse effects on humans, animals, and plants. This research aims to the usage of Populus alba tree’s sawdust as a costless pruned agricultural waste material for the removal of crystal violet from simulated wastewater in batch adsorption experiments. The dye removal process by the adsorbent was performed by varying various parameters such as the weight of the adsorbent, pH of the solution, adsorption time, and the initial dye concentration. Generally, increasing the weight of the adsorbent and decreasing the initial dye concentration led to increasing removal efficiency. The optimum solution pH was found to be 6.5. Also, the optimum weight of the adsorbent and the optimum initial dye concentration were found to be 0.15 g and 10 mg/L, respectively. Moreover, the adequate adsorption time for the accomplishment of the treatment procedure was 10 min. Adsorption data were fitted well by the Langmuir adsorption isotherm model and the maximum amount of the adsorbate on the adsorbent (qmax) was calculated to be 12.25 mg/g. The kinetic study data illustrated the adaption of the adsorption rate with the pseudo-second-order kinetic model. The results of the ANN model proved the fitness of theoretical and experimental data according to the obtained correlation coefficient values. Eventually, the dye removal efficiency reached 97% in the optimum conditions of the experiments. So the sawdust of Populus alba tree’s pruned hardwood is introduced as a costless and highly capable adsorbent for the adsorption of crystal violet from contaminated wastewaters in order to perform a successful wastewater treatment beside the accomplishment of a waste management procedure.
    Keywords: Populus alba tree, Wastewater treatment, Crystal violet, Isotherm study, Kinetic study, Artificial neural network
  • Azadeh Ahmadi, AliReza Noorpoor *, AliReza Kani, Alireza Saraei Pages 1882-1892

    In this paper, a system consisting of the Allam cycle and Multi-Effect Distillation- Thermal Vapor Compression) MED-TVC( desalination was proposed to reduce the amount of carbon dioxide in the atmosphere. It uses wasted energy for the simultaneous production of freshwater and power. Firstly, analysis of the Allam cycle delineated that the heat capacity suitable for the desalination cycle is estimated to be 100 MW, the amount of heat from the outlet of the compressor. The MED-TVC desalination system, one of the most suitable and the most economical desalination systems, is used to combine the Allam cycle and desalination in Kish Island, located in the south of Iran. The results of this research indicate that the proposed cycle has a desirable economic performance, and the results of economic analysis using the Net Present Value (NPV) method and Internal Rate of Return (IROR) show the Payback period in this plan is 4.8 years.

    Keywords: Multi-Effect Distillation, Allam Cycle, Economic, Modeling, Simulation
  • Reza Zahmatkesh, Hamid Mohammadiun *, Mohammad Mohammadiun, MohammadHosein Dibaei Bonab, Meisam Sadi Pages 1893-1908

    Dimensionless temperature, Nusselt number, and entropy generation in stagnation flow of incompressible nanofluid impinging on the infinite cylinder with uniform suction and blowing have been presented in this study. The initial stream rate of the steady free stream is k. A similar solution of Navier-Stokes and energy equations has been presented. These equations are simplified by implementing appropriate transformations introduced in this research. The governing equations are solved where the heat flux at the cylinder’s wall is constant. All these solutions are acceptable for Reynolds numbers of 0.1-1000, various dimensionless surface diffusion, and specific volume fractions of nanoparticles where a is the cylinder radius and is the kinematic viscosity of the base fluid. The results show that for all Reynolds numbers, diffusion depth of radial and axial components of velocity field and wall shear stress increases as a result of the decline in nanoparticles volume fraction and growth in surface diffusion. Moreover, an increase in nanoparticle volume fraction and surface suction raises the heat transfer coefficient and Nusselt number. Also, the greatest amount of entropy generation is calculated.

    Keywords: Nano fluid, stagnation flow, Similarity solution, volume fraction, Entropy generation
  • Nima Norouzi, Abdol Ghaffar Ebadi, Alireza Bozorgian *, Seyed Jalal Hoseyni, Esmail Vessally Pages 1909-1930
    Exergy analysis is a tool to determine the share of processes involved in transferring input functionality to the system and where the useful energy loss occurs in a system or process. In this study, an exergy comparison of the performance of an internal combustion engine with spark-ignition for gasoline, hydrogen, and methane fuels is considered. For this purpose, first, multi-zone modeling of the engine based on flame advancement has been introduced. Then, the necessary conceptual bases for performing exergy analysis of the system have been established by defining the term exergy and creating the corresponding exergy balance equations and applying them to closed systems and control volumes. This study shows that the largest share of irreversibility in the engine is related to the combustion process. Also, for stoichiometric conditions, we can mention the percentage of exergy transferred by working approximately equal for all three fuels, the highest percentage of irreversibility for gasoline, and the lowest percentage of irreversibility for hydrogen. Examining the exergy analysis results in the assumed operating conditions mentioned in the paper shows that increasing engine speed increases exergy transfer with work and decreases exergy transfer with heat. Also, increasing the equivalence ratio increases the share of exergy of the mixture inside the cylinder and decreases the irreversible share of inlet exergy.
    Keywords: Internal combustion engine, Multi-zone simulation, Exergy Analysis, Alternative fuels
  • Ashraf Mohammad Bilal *, Fazle Mabood Pages 1931-1942
    Numerical analysis is performed for a 3D incompressible viscoelastic nanofluid mixed convection flow model under the implications of convective boundary conditions towards an exponentially stretching sheet. The system that comprises differential equations of partial derivatives is remodeled into the system of differential equations via similarity transformations and then solved numerically through the Runge-Kutta-Fehlberg with shooting technique. The physical parameters, which emerge from the derived system are discussed in graphical formats. The significant outcomes of the current investigation are that the velocity field grows for a higher viscoelastic parameter while it reduces the fluid temperature. An increase in the mixed convection parameter diminishes the temperature and concentration. Further, the heat transfer rate is crumbled with the incremental values of the viscoelastic parameter. The obtained results show a better agreement with those available in the literature for limiting scenarios.
    Keywords: viscoelastic fluid, 3D-flow, Mixed Convection, Convective Boundary Conditions, streamlines
  • Man Yu, Qiang Yu *, Meiying Li Pages 1943-1959
    As the core energy source of electric vehicles, power batteries directly restrict the development of electric vehicles. Accurate estimation of SOC is not only the fundamental function of the electric vehicle battery management system but also helps to improve energy utilization of batteries, safeguard the application of batteries in EVs, and extend the cycling life. However,    the time-varying nonlinearity, environmental sensitivity, and irreversible decay during the use of the battery make the estimation of hidden states such as SOC a challenge to the industry. This study conducted the following research on the SOC and capacity estimation of lithium-ion batteries: (1)To achieve the co-estimation of the battery’s state and parameters, an adaptive cubature Kalman filter SOC estimation method based on random weighting (ARWCKF) is proposed, at the same time, Extended Kalman Filter (EKF) is used to identify the parameter on-line. The results verify that this approach has a better performance with the error of SOC being under 3%. (2) Aiming at the limitations of the single-time-scale joint estimation algorithm, taking accumulated discharge as the conversion standard between micro and macro time scales. The filtering performance of the algorithm is effectively evaluated based on the prediction accuracy of the terminal voltage, SOC, capacity, and the convergence rate of SOC and capacity, verifying that compared to the single-time-scale approach, this approach has better robustness and accuracy.
    Keywords: Vehicle engineering, Lithium-ion battery, Cubature Kalman filter, State of charge, Capacity, Co-estimation
  • Shahpour Jahanbin, Seyed Nooroldin Hosseini *, Maziyar Sabet Pages 1960-1972
    The condensate stabilization process is known as a common operation in gas fields with the aim of diminishing the condensate Reid Vapor Pressure (RVP). Based on feed characteristics and specified products, condensate stabilization units can be optimized by examining different process configurations. In each configuration, there exist some criteria in terms of product quality, energy-saving, and economic recovery, which shall be investigated so that the configuration’s performance is evaluated and selected. The aim of this study is to illustrate four condensate stabilization configurations and then to determine the proper column temperature and pressure, feed split ratio, and feed tray location by means of Aspen Hysys in the configurations. In the end, it is shown that the configuration with the lowest operating pressure not only had the lowest fixed capital cost but also consumed the lowest energy due to its high separation efficiency and low energy requirement.
    Keywords: Condensate Stabilization, Simulation, ASPEN HYSYS, feasibility study, Stripping
  • Valiollah Mandanipour * Pages 1973-1984
    A novel composite membrane is prepared by the dispersion of Sulfonated Graphene Oxide (SGO) in sulfonated polystyrene–polyethylene (SPS-PE) for electrolyte in the direct methanol fuel cell. For sulfonated polystyrene used the method that was patented by Makowski et al. Graphene Oxide (GO) is prepared by modified Hummer's method and is further functionalized with SO3-H. SGO is then incorporated into SPS-PE matrix using the solvent cast method to form the composite membrane. The composite membranes are characterized by FT-IR, TGA, and SEM. Oxidative resistance, water uptake, ionic conductivity, and methanol permeability are measured to evaluate its performance in a direct methanol fuel cell with a cation exchanger membrane. The membranes were confirmed to retain 1–5% water vapor at 80–140 °C in the air due to the hydrophilic of highly SPS and SGO. The ionic conductivity and permeability of the membrane to methanol were found to increase with temperature increasing. The membrane SGO-SPS–PE shows the proton conductivity of 2.74 × 10-2 S/cm at 100 °C without extra humidity supply and is very promising for high temperatures with low humidity. The high proton conductivity is ascribed to the unique composition in which the heterocyclic polymer provides the proton motion by construction diffusion and the highly SGO-SPS copolymer retains water vapor to lower the activation energy for proton conduction.
    Keywords: Condensate Stabilization, Simulation, ASPEN HYSYS, feasibility study, Stripping
  • Samira Ahmadi, Reza Nasr * Pages 1985-1998
    PRICO process is a promising method for liquefaction of the natural gas which is sometimes used with some optional equipment. Although the PRICO process is widely used in natural gas liquefaction, the configuration leading to the most desirable performance has not been determined. The liquefaction rate and the energy consumption are two important factors to evaluate the performance of the PRICO process. In this study, the PRICO process with five different configurations was simulated and compared. By the means of the multi-objective optimization method, the liquefaction rate and the energy consumption were optimized, simultaneously, for each of the procedures. The five different simulated configurations are simple PRICO process, simple process with the third compressor, simple process with second heat exchanger, simple process with pre-cooling heat exchanger, and full-set process. The optimization results demonstrated that the three-compressor and the full-set processes achieved the maximum liquefaction rate (96.51) and the minimum energy consumption (1219.53 kW), respectively. The economic analysis has also presented and revealed that the three-compressor process had the highest net profit (730.9288 M$/25 years) among the configurations. In other words, the three-compressor process outperformed other configurations with respect to the operation and economics (maximum liquefaction rate of 96.51 and net profit of 730.9288 M$/25 years).
    Keywords: PRICO Process, Liquefaction, NSGA-II, genetic algorithm, Economic Analysis
  • Xiaoshu Lv, Zhiqiang Ning, Yuchun Zhai *, Michael Free, Fuhui Cui Pages 1999-2007
    The process of alkali roasting boron ore concentrate was proposed for the problems existing in the process of boron ore concentrate smelting. In this research, the influencing factors included the molar ratio of alkali to boron ore concentrate, roasting temperature, and roasting time were investigated. The single experiment and orthogonal experiments show the optimal conditions for roasting under the conditions evaluated including a temperature of 550oC, roasting time of 60 min, and a molar ratio of alkali to ore of 3:1. In the roasting process, the Si extraction correlated with the shrinking core model assuming a solid product layer according to XRD and SEM. Thus, the kinetics is controlled by diffusion through the product layer. The apparent activation energy for Si extraction was 13.47kJ/mol, and the roasting rate can be expressed as:1-(2/3α)-(1-α)2/3=1.428×10-2exp(-13470/RT)t.
    Keywords: boron ore concentrate, alkali roasting, Extraction, Kinetics
  • Elham Hajilou, MohammadReza Yaftian *, Leila Dolatyari Pages 2008-2018

    This study concerns the application of a Schiff base ligand of type N3O2 as a carrier in a water-in-oil emulsion liquid membrane for the selective transport of copper ions. A hydrochloric acid solution formed the internal aqueous phase (receiving phase), and the membrane was composed of a Schiff base ligand called bis(1'-hydroxy-2'-acetonaphthone)-2,2'-diiminodiethylamine (L) in dichloromethane and the non-ionic surfactant Span® 80 in paraffin. By applying the optimum conditions, a quantitative uptake of copper ions (initial concentration 5 mg/L) from the aqueous feed phase (pH 5) into the receiving phase (hydrochloric acid 0.7 mol/L), after 10 min was attained. The optimal value determined for the treat ratio allows achieving a concentration factor of >6 for the copper ions in the receiving phase. The proposed emulsion liquid membrane provided an excellent selectivity towards copper ions with respect to some associated metal ions including Cd(II), Ni(II), Zn(II), Co(II), Fe(II), and Cr(III). However, such selectivity was not observed in the competition of Cd(II) and Pb(II) ions. The breakage of emulsions and recovery of the internal phase from the membrane was performed by freezing the internal solution. The expansion of the frozen internal phase volume results in the breakage of the emulsions. The applicability of the proposed procedure was appraised by employing the method for the recovery of copper from the leached solutions of the cobalt and nickel-cadmium filter cakes of a zinc production plant.

    Keywords: Facilitated transport, Phase dispersion liquid membrane, Copper recovery, N-O donor phase transfer agent
  • Ahmad Irfan *, Muhammad Imran, Muhammad Waseem Mumtaz, Muhammad Asim Raza Basra Pages 2019-2027
    The SARS-CoV-2 has initiated in Wuhan city of China and then extend all around the world as a health emergency. It begins a new research area to produce potential drugs using data-driven approaches to identify potential therapies for the treatment of the virus. This is the time to develop specific antiviral drugs using molecular docking, quantum chemical approaches, and natural products. The protease inhibitors that constitute plant derivatives may become highly efficient to cure virus-prompted illnesses. A systematic study of isolated phytochemicals was executed then frontier molecular orbitals, docking score, molecular descriptors, and active sites were compared with favipiravir, dexamethasone, redeliver, and hydroxychloroquine which are being used against COVID19 nowadays. This is the first study on the phytochemicals of Daphne species to explore their anti-SARS-CoV-2 behavior by molecular docking and quantum chemical methods.
    Keywords: COVID-19, Bio-guided isolation, Daphne, Molecular Docking, Quantum chemical exploration, In-silico studies
  • Sheida Zare, Hannan Lashkari * Pages 2028-2041
    Grape Juice Concentrate (GJC) contains high amounts of natural sugars, vitamins, and polyphenols so it can be used as a natural sweetener and functional ingredient. The novelty of the present study was to produce flavored dairy desserts, as well as to evaluate the effect of GJC, gelatin, and cream on its physicochemical, mechanical, and sensorial properties. In this study, optimization of breakfast flavored dairy dessert formulation containing GJC was done using design expert and response surface methodology. The effects of cream (75-90 %), gelatin (0 - 0.5 %), and GJC (10-25 %) on the properties of flavored dairy desserts were evaluated. The samples were subjected to fat, acidity, pH, total solids content, sugar content, hardiness, color, antioxidant activity, and sensory attributes. At first, the modeling of responses was done using data regression analysis, and then 3D charts were drawn for each response. The results showed that the samples became firmer, and darker in color as the level of GJC increased. The antioxidant activity of the desserts was increased mostly by GJC level. The maximum hardness and radical inhibitory activity of samples were 1380 g and 73.5%, respectively. The general acceptability of the desserts was affected by Antioxidant; Dairy dessert; Grape juice concentrate; Response surface methodologyby the amount of GJC. Based on the standard range of responses and the most desirability, the optimal point was obtained. At the optimal point, the amounts of cream, GJC, and gelatin were 75.05, 20.59, and 4.36% respectively. Flavored dairy desserts could be considered to be a suitable source of vitamins, soluble fiber, antioxidants, amino acids, and a good source of natural sweets.
    Keywords: Antioxidant, Dairy Dessert, Grape Juice Concentrate, Response surface methodology
  • Tatiana Zhukovets, Mehmet Musa Özcan * Pages 2042-2048
    Antioxidant activity, total phenol, total flavonoid, and anthocyanin contents, phenolic compounds, and macro-and microelement contents of concentrated fruit pulp (boiled juices) were determined. While antioxidant activities of marmalade samples varied between 99.6% (Mahaleb) and 117.2% (Cornus), total phenolics of boiled juices changed between 103.52 (Mahaleb) mg GAE/100g and 126.63 mg GAE/100g (Cornus). In addition, while gallic acid contents of marmalade (boiled juices) extracts are determined between  0.91 (Mahaleb) and 6.27 mg/100g (Cornus), (+)-Catechin contents of marmalade samples varied between 3.29 mg/100g (Mahaleb) and 9.61 mg/100g (Cornus). K and P contents of boiled juices were found between  271.37 mg/Kg(Rosa) and 8004.00 mg/kg (Mahaleb) to 55.12 (Cornus) and 415.12  (Mahaleb) mg/kg, respectively.  Fe contents of boiled juices changed between 12.97 (Rosa) and 16.92 mg/kg (Cornus). Among samples, the highest Cu (1.75 mg/kg), Mn (1.08 mg/kg), and Zn (7.62 mg/kg) contents were found in mahaleb boiled juice. According to the results, boiled juice samples are rich in bioactive compounds, phenolics, and some minerals (Ca, K, Mg, Na, and P).
    Keywords: Boiled juice, Antioxidant Activity, Anthocyanins, Phenolic compounds, Minerals, ICP-AES
  • Reza Mohammadi, Abolfazl Rouzitalab, Rezvan Pourahmad, Hedayat Husseini, Kinoosh Khosravi Darani, Sara Hasanvand, Rezvan Zibaei, Aram Ahmed Samin, Amir Mohammad Mortazavian * Pages 2049-2060

    In this study, the effects of soymilk to cow's milk ratio (0:100, 25:75, 50:50, 75:25, 100:0), kind of commercial starter culture (ABY-1 or ABY-2 containing Bifidobacterium lactis BB-12,  Lactobacillus acidophilus LA-5, and yogurt bacteria, and natural fruit concentrations (kiwi, pear, strawberry or apricot) on biochemical characteristics, viability and sensory properties of probiotic flavored soy-yogurt were investigated. These properties were analyzed during and at the end of fermentation as well as during the cold storage (21 days). The highest viability of probiotics (p<0.05) was observed when ABY-1 starter culture with soymilk to cow's milk ratio of 50:50 was applied, whilst the best sensory attributes were related to the treatment with the highest cow's milk content and ABY-1 starter culture. Considering all aspects, the treatment of ABY-1/50:50 (cow's milk: soymilk) which renders the highest viability and acceptable sensory properties was selected as an optimum. Viability was over 108 cfu/mL during the storage period (5˚C. 21 days) for all treatments of ABY-1/50:50 containing fruit concentrates. Those which had apricot and strawberry flavorings showed the best sensory acceptance.

    Keywords: Bifidobacterium lactis, Lactobacillus acidophilus, Probiotic, Yogurt, Viability
  • Behjat Majidi, Mohsen Fathi Najafi *, Shahriar Saeedyan Pages 2061-2068
    Brucella spp. Lumazine synthase enzyme is a decameric protein carrier that displays foreign antigens effectively in a polyvalent manner. The applied strategy using this molecule results in a higher density of antigens and enhances the immunogenicity of peptide vaccines. In the current study, Brucella lumazine synthase (BLS) was applied for fusion with influenza matrix protein 2 ectodomain (M2E) as a foreign peptide. The primary studies were based on bioinformatics tools and the fusion was expressed and purified in the following levels. Forming of the decamer was confirmed by electrophoresis and western blotting techniques. Influenza matrix protein 2 was stably expressed at the 10 amino terminals of lumazine synthase. The purified fusion was injected into mice and immune responses were evaluated with the indirect enzyme-linked immunosorbent assay (ELISA) technique. According to ELISA results yield of the purification process was 41% with the ion-exchange method and the protein was as a single band in Sodium Dodecyl Sulfate PolyAcrylamide Gel Electrophoresis (SDS-PAGE). The titer of immunized mice serum with a decameric fusion of lumazine synthase and matrix protein (M2BL) was determined to be more than 1:32000 by indirect ELISA. The level of responses against matrix protein in the decameric state of M2BL, was about 20% higher than monomer M2BL. Anti M2BL was cross-reacted effectively with influenza M2E and in comparison with samples injected with adjuvant, the level of antiM2E was similar. The results in this study confirm the role of multi-copy presentation systems and the applicability of BLS as an antigen carrier and adjuvant in designing peptide vaccines.
    Keywords: Lumazine synthase, decamer, Purification, ELISA
  • Reza Mohammadi, Nastaran Erfani, Sara Sohrabvandi *, Seyed Ali Mortazavi, AmirMohammad Mortazavian, Zahra Sarlak, Majid Alizadeh Moghadam Pages 2069-2078

    Among the fermented products, cheese has a good potential to deliver probiotic microorganisms into the gastrointestinal system due to its high protein and fat contents. The contamination of milk with aflatoxin M deserves attention concerning cheese consumption due to the harmful effects on human health. The present research studied the reduction of aflatoxin M1 (AFM1) by two well-known probiotic strains in artificially aflatoxin-contaminated Feta cheese. Changes in pH, the viability of the probiotic strains, and the level of aflatoxin in the samples were analyzed during 60-day storage. The results showed that all samples containing probiotics dramatically reduced the AFM1 levels. From both the health and economic aspects, the B. bifidum species at an inoculation level of 107 CFU/mL has proven to be the best treatment, due to the lowest cost of probiotics, highest survival rate, and 30.12% reduction of AFM1.

    Keywords: Aflatoxin M1, Feta cheese, Probiotic
  • Monnire Moslemipetroudi, Farshid Pajoum Shariati *, Hossein Delavari Amrei, Amir Heydarinasab Pages 2079-2086
    This study focused on the effect of different light intensities and spectra on the beta-carotene production within Dunaliella salina cells (green eukaryote microalgae) which are purified from Urmia Lake in northwest Iran. For this purpose, four LED light spectra (white light: 360–760 nm, red light: 620–645 nm, yellow light: 587–595 nm, and blue light: 460–475 nm) were used in this experimental research. The light intensity of 200 µmol/(m2 s) was considered for each LED light spectra. The highest beta-carotene content extracted under a sequential combination of colored light (white, blue, red, and yellow respectively) was 16.93 µg of beta-carotene per mg of cell dry weight and the highest accumulated beta-carotene within the cells among single-colored light was 15.16 µg /mg when the cells were cultivated under yellow light.
    Keywords: microalgae, Dunaliella salina, Beta-carotene, Colored lights, Salinity
  • Behrooz Alizadeh Behbahani, AbbasAli Imani Fooladi * Pages 2087-2103

    In this study, response surface methodology (RSM) was used to investigate the influence of independent process parameters including water to seed ratio (g/g), temperature (°C), time (min), and ultrasonic intensity (%) on the extraction yield of “Barhang-e-Kabir”. Chemical composition, monosaccharide composition (using HPAEC-PAD), molecular conformation, molecular weight properties, Surface tension, ζ-potential, particle size distribution, Fourier Transform InfraRed (FT-IR) spectroscopy, color measurement, Total Phenol Content (TPC), Total Flavonoid Content (TFC), Antioxidant Activity (AA), antimicrobial and dilute-solution and steady-state behavior were evaluated. The optimum condition to obtain maximum extraction yield (13.1 %) was extraction temperature 70 ᵒC, extraction time 40 min, water to seed ratio of 1:10, and ultrasonic power of 90 %. Plantago major gum (PMG) had 89.24% carbohydrate, 4.53% ash, 4.11% moisture, and 2.12% protein. Viscometric molecular weight and average molecular weight were found to be 1.13 ×105 g/mol and 9.9 ×105 g/mol, respectively. The intrinsic viscosity of PMG was 12.56 dL/g in deionized water at 25 ºC. Steady shear measurement demonstrated that PMG is a shear-thinning fluid with high viscosity at low concentration. TPC, TFC and AA (IC50) tests of PMG showed 89.80 ± 1.23 mg GAE/g dry sample, 123.25 ± 1.32 mg g−1dry sample, and 470.45 ± 0.35 µg/mL, respectively. Prevention of linoleic acid oxidation in the system of ß-Carotene-linoleic acid was equal to 32.45 %. The results showed that Streptococcus pyogenes and Pseudomonas aeruginosa are the most sensitive and highest resistance strain to PMG, respectively.

    Keywords: Plantago major gum, Ultrasound-assisted extraction, Chemical composition, Molecular conformation, Rheological Behavior, Biological activity