Iranian Journal of Chemistry and Chemical Engineering
Volume:40 Issue: 3, May-Jun 2021

In this work, the interactions between the Na neutral atom and Na+ ion and three nanostructures such as sumanene (SM), corannulene (CN), and nanosheet were investigated. The main goal of this work is to calculate the cell voltage (V) for Na−ion batteries, NIBs. The total energies, geometry optimizations, and density of states (DOS) diagrams were studied by using M06−2X level and 6−31+G(d,p) basis set. The DFT calculations indicated that the energy adsorption between Na+ ion and nanostructures, Ead,were increased in the order: SM-i > Sheet > CN-i > CN > SM. Nevertheless, the Vcell for SM has obtained the highest value. The Vcell of NABs are increased in the order: SM > CN > Sheet > SM-i > CN-i. This research theoretically described the possible uses of the mentioned nanostructures as anode the anodes in Na−ion Batteries.

Photocatalytic degradation of pollutants using the semiconductor Quantum Dots (QDs) can be applied to water treatment processes. In this paper, first, the Orange Peel (OP) and the Activated Carbon (AC) were prepared from the orange peel wastes. Second, CdS quantum dot-loaded adsorbents were prepared from these adsorbents and they were labeled as CdS@OP and CdS@AC, respectively. This new photocatalyst was characterized using FT-IR, FESEM, and UV-Vis. Then, the adsorption properties of these prepared adsorbents for the removal of alizarin, as an organic pollutant, were studied, and AC was selected as a better adsorbent for this purpose. Afterward, the photocatalytic properties of these adsorbents were also studied for the degradation of alizarin, under sunlight irradiation. A factorial design method was used to achieve the optimal condition and the best photocatalyst was selected. Finally, CdS@AC nanocomposite was selected as a more effective photocatalyst with the degradation efficiency of 82% of dye solution, under 2h sunlight irradiation.

Nano lipid carriers for encapsulating α-tocopherol (α-TC) were successfully fabricated using the hot homogenization method. The effect of oil content and type of lipid on the physicochemical properties of different formulations were investigated. The results showed that α-TC nanocarriers exhibited a small particle size (259.2-379 nm), narrow PolyDispersity Index (PDI) (0.178-0.432), and high Entrapment Efficiency (EE) (95.73-99.22%). Nanostructured Lipid Carrier (NLC) of Compritol containing 45% corn oil (α-TC-NC45) was selected as the optimum formulation due to its smaller particle size as well as PDI and higher EE. The Differential Scanning Calorimetry (DSC) and X-Ray Diffractometry (XRD) data revealed a low degree of crystallinity for α-TC-NC45 with two crystal forms of α and ß´. Transmission Electron Microscopy (TEM) images also revealed an almost spherical morphology for the particles. The α-TC-NC45 was stable concerning particle size, PDI, and EE during a 3-month storage at both 4 and 25 °C. The results suggested that nanostructured lipid carrier of Compritol containing 45% corn oil may be an appropriate delivery system for food and beverage fortification with α-tocopherol.

In this study, iron-doped alumina (Fe-Al2O3) nanoparticles (NPs) containing 2 mol%, 4 mol%, and 6 mol% iron impurities were fabricated by the co-precipitation method in the presence of Al2(SO4)3.9H2O and Fe2(SO4)3.9H2O precursors. The prepared nanoparticles were heated at 1000 oC to study their physicochemical properties. The XRD results pointed out the multiphase for the samples. The morphological results revealed that the uniformity increased by increasing iron atoms rate. TEM analysis revealed that the particle with a size of 40 nm was obtained for 4% of the sample. The results of FT-IR analysis indicated that when the 2% impurity increases the AlO4 tetrahedra and AlO6 octahedral vibrational bond grow.

In this study, conductive nanocomposites were prepared by dispersing two different types of nanoparticles in the epoxy resin (bisphenol A) matrix. In the first case, Graphene Oxide (GO) was used as the nanoparticle filler, while in the second one, reducedgraphene oxide (rGO), which was made using L-ascorbic acid as the reducing agent, was dispersed in the epoxy base. For this purpose, different weight percentages of nanoparticles including 0.25, 0.5, 1, and 2 % were selected to be examined. The prepared samples then were compared with the blank sample in terms of electrical conductivity and mechanical properties involving tensile strength and elastic modulus. According to FT-IR and XRD analyses, it was observed that oxygen functional groups were reduced substantially for the rGO. However, in this case, owing to the transformation of the binary system from polar-polar to polar-nonpolar, rGO could not disperse well in the epoxy matrix. To address this problem, nonylphenol polyethylene was used as a surfactant to provide more suitable dispersion in the epoxy. Results also demonstrated that the electrical conductivity of rGO-epoxy nanocomposite increased dramatically in comparison with both neat epoxy samples and epoxy/GO ones, and the maximum conductivity of 3×10-4 S/m (8 orders of magnitude higher than the pristine epoxy resin) was achieved at the rGO percentage of 2%. In addition, mechanical properties (e.g. tensile strength and elastic modulus) were superior in the case of GO and rGO nanocomposites in comparison to that of the blank sample, except for the 2 wt% rGO. Therefore, the best-prepared nanocomposite was the1wt% rGO sample which improved the electrical conductivity up to 7 orders of magnitude. Likewise, tensile strength and elastic modulus modified 21% and 34 %, correspondingly relative to the neat epoxy sample.

Herein, flyweight organic-inorganic hybrid scaffolds were fabricated by self-assembly and reduction of graphene oxide via covalent reaction of octa(aminophenyl) polyhedral oligomeric silsesquioxane with graphene oxide. Octa(aminophenyl) polyhedral oligomeric silsesquioxane created a decorative coating on the graphene oxide surface. It acts as a nano-crosslinker, especially on the overlapped-zone of graphene oxide platelets to bind them close-fitting. The resulting hybrid hydrogel was transformed into aerogel by the solvent exchange process with liquid carbon dioxide, followed by liquid carbon dioxide supercritical drying. Different concentrations of graphene oxide and octa(aminophenyl) polyhedral oligomeric silsesquioxane were prepared and the structureproperty relationship of obtained aerogels is elucidated. Bulk density and porosity of the aerogels are located between the super-low values of 2.7 to 5.9 mg/cm3 and beyond 99.5 %, respectively. According to the adsorption-desorption isotherms of BET-technique, the surface area of obtained aerogels was in between 250 to 713 m2/g. The findings remark the potential application of obtained aerogels in the production of supercapacitors, lithium-ion batteries, solar cells, etc. in energy storage and conversion devices, electrode materials, sensors, gas/oil/dye adsorbents, and high-temperature insulators in the aerospace industry.

Cu(II) complex derived from Synthesis of N-((1H-pyrrol-2-yl)methylene)-4- methoxyaniline Schiff base(PMMA) was studied by UV-Vis, IR spectra, and EDAX. Zinc oxide was synthesized using a simple homogeneous precipitation method with zinc acetate as a starting material. The thin layer of the studied Cu(II) complex was deposited on ZnO/Si(111) substrates by a spin coating method and characterized with scanning electron microscopy (SEM), atomic force microscopy (AFM), and photoluminescence spectroscopy. The SEM images revealed that silicon surfaces are uniformly covered by the Cu(II) complex. AFM micrographs reveal that films are closely packed and granular in nature; the signature of agglomeration of grains is almost absent. For Cu(II) complex/ZnO/Si layer the most intensive fluorescence bands due to intra-ligand transitions were observed between 498 and 520 nm, the quenching of the emission band from ZnO at 360 nm (λex =320 nm) associated with various intrinsic or extrinsic lattice defects was noted.

In the present research, the Functionalized Multi-Walled Carbon Nano Tubes (FMWCNTs) were functionalized and then were characterized by using the Fourier Transform infrared spectroscopy (FT-IR), X-Ray powder Diffraction (XRD), Scanning Electron Microscopy (SEM), Brunauer –Emmett-Teller and Barett-Joyner –Halenda (BET/BJH) and Particle Size Analyzer (PSA) techniques. Subsequently, the functionalized multi-walled carbon nanotubes were used to remove chromium picolinate (ChP) drug from the aqueous media, and its ability for ChP adsorption was also evaluated. To achieve this purpose, the effects of the variousparameters such as pH, initial concentration of the sorbate, sorbent dosage, temperature, and contact time on the removal percentage of ChP drug onto the FMWCNTs adsorbent were studied and reported. Based on the experimental results, the optimum conditions to perform the adsorption experiments were determined. In addition, the experimental results were examined using some suitable isotherm models, and it was found that the Langmuir isotherm model is more suitable for fitting the results of the considered adsorption process. Finally, the kinetic and thermodynamic behavior of the ChP adsorption onto the FMWCNTs sorbent were considered and the related results indicated that the studied adsorption process is exothermic and exergonic and almost is physical adsorption. In addition, the kinetic results showed that the adsorption of ChP onto the FMWCNTs adsorbent obeys the pseudo-first-order reaction law from the kinetic point of view.

This study simulates the enhanced oil recovery process using nanofluids into a microporous medium. To obtain the optimum values that affect this process, design experiments with the general factorial method was performed. Four parameters included type of nanoparticles and the base fluids, diameter and volume fraction of nanoparticle were considered. The porous medium was created with the commercial grid generation tool and Fluent software was used to solve the governing equations. Comparison of numerical results with the experimental data illustrates that they are in good agreement. In addition, results show that clay nanoparticles with formation water have the greatest impact on the oil recovery factor compared to other nanofluids. Also the nanofluid with higher amounts of nanoparticles in the base fluid and smaller diameter have better performance in improving the oil recovery factor. Therefore, for having the maximum oil recovery factor, the best combination of parameters is clay nanoparticles with 2 nm diameter and 5 vol. % in formation water.

Cephalosporin is a group of β-lactam antibiotics that has a wide antibacterial ability, so its therapeutic use is high. Although much research has been conducted about the fate of antibiotics in an aquatic environment, little investigation has been done about the removal of cephalosporin. In this study, Cefepime, a fourth-generation cephalosporin antibiotic was selected and different tests such as UV/TiO2, UV, TiO2 under darkness, and TiO2 under sunlight were applied to determine whether these methods are effective ways to remove Cefepime from aqueous solutions or not. Different amounts of catalyst and different pHs were used as effective parameters on degradation efficiency and were optimized. The Cefepime removal was measured by HPLC. The mobile phase was comprised of 10:90 Acetonitrile: water with a flow rate of 1 mL/min. The detected wavelength was 212 nm. Maximum removal efficiency (92.9%) for 20 mg/L Cefepime in neutral pH and catalyst dose of 70 mg/L after 120 min irradiation was observed. At the same conditions, the degradation efficiencies for UV, TiO2 under sunlight, and TiO2 under darkness were determined 77.65%, 53.24%, and 15.12% respectively. Also, the reaction rate constant was increased from 0.0054 to 0.0279 (1/min) for photolysis and photocatalysis, respectively. This work was economically compared with photolysis and the result showed that the EEO for the UV/TiO2 process was five times lower than UV processes. UV/TiO2 process could be an efficient method to successfully remove the Cefepime antibiotic from aqueous solutions.

In this work, the degradation of Nitro toluene (NT) which is one of the constituents of petrochemical wastewater was explored by MnO2/Clinoptilolite/O3 process. The Box-Behnken experimental design was used and the effect of some operating parameters such as concentration of pollutant, initial pH, and amount of MnO2/CPwas inspected.A radical mechanism with the formation of an anion radical (𝑂2 •−) before hydroxyl radical is proposed for describing the interaction between ozone and MnO2/CP. The optimum conditions predicted by the model were as the following: [MnO2/CP] = 0.45 mg/L, pH at 8.5, ozonation time at 48 min and [NT] = 30 mg/L. In optimum condition, the removal of NT and Chemical Oxygen Demand (COD) was 99.8, and 74% respectively. The removal of NT in the ozone along with MnO2/CP was higher than the sum of the separate processes of single adsorption of catalyst (6%) at 0.6 mg/L and single ozonation(79%).

Sheep tail fat is a common frying oil in Iran due to its good flavor and stability. Deodorization is a high-temperature vacuum purification process for removing the volatile compounds from the edible fats and oils. In this paper, the effects of temperature, time, and ultrasound power on the quality attributes of sheep tail fat during the deodorization process were studied using response surface methodology. Variations of the acid value, peroxide value, iodine value, and saponification value, as well as extinction coefficient, were investigated. The best equations were created for the responses of acid value (R2 = 0.9143, p < 0.0001), peroxide value (R2 = 0.9862, p < 0.0001), iodine value (R2 = 0.9670, p < 0.0001), refractive index (R2 = 0.9816, p < 0.0001), saponification value (R2 = 0.9345, p < 0.0001) and extinction coefficient (R2 = 0.9562, p < 0.0001). Finally, the temperature of 200 ºC, the processing time of 80 min, and the ultrasound power of 307 W were recommended for the optimal conditions of sheep tail fat ultrasound-assisted deodorization.

This study aimed to determine the chemical compounds, antioxidant and antimicrobial activities of Essential Oil (EO) derived from lime pomace. Gas chromatography/mass spectrometry (GC-MS) was used to determine the major components of the obtained EO. The antioxidant activities of this EO were determined by radical scavenging activity (DPPH) and the Ferric Reducing Antioxidant Power (FRAP) test. For antimicrobial activity, the disk diffusion method was used and the Minimum Inhibitory Concentrations (MIC) and the Minimum Bactericidal Concentration (MBC) were studied against common foodborne pathogens including; Staphylococcus aureus, Bacillus cereus, Listeria monocytogenes, Escherichia coli, Salmonella typhimurium, and Pseudomonas aeruginosa. The result showed that the Gram-positive bacteria were more susceptible than gram-negative bacteria. The result shows that lime pomace powder with IC50 83.061 mg/mL has a high antioxidant capacity and also, the chemical analysis of the EO showed that the EO contained a complex mixture of several components and the main constituents were D-limonene (28.86%), α- terpinene (15.65%) and γ-terpinene (12.72%) respectively.

In this work, the defects in poletherysulfone (PES)/silicoaluminophosphate (SAPO)- 34 zeolite mixed matrix membrane was prepared by dry-wet spinning technique for the separation of CO2/CH4 mixtures. In this regard, the synthesized PES/SAPO-34 Mixed Matrix Membranes (MMMs) were characterized via FESEM analyses. The Response Surface Methodology (RSM) was applied to find the relationships between several explanatory variables such as air gap distance, jet stretch ratio, and zeolite content, and CO2 permeance as responses. The results were validated with the experimental data, which the model results were in good agreement with the available experimental data. The effects of feed temperature and feed pressure on permeation and CO2/CH4 selectivity of membranes were investigated. The MMMs showed better performance than the neat PES membrane. A two-dimensional countercurrent mathematical model for membrane separation has been incorporated with Aspen HYSYS to optimize and design the membrane system for CO2 capture from natural gas. Permeation results manifested that the PES/SAPO-34 fabricated at optimum conditions has incredible worth from the perspective of industrial separations of CO2 from the flue and natural gas.

Oxidative stress occurs when oxygen radical formation and levels exceed those of antioxidants, potentiating cell responses such as apoptosis, tumorigenesis, and immune response. In an event of microbial invasion, there is a production of Reactive-Oxygen-Species (ROS), which when in excess can lead to oxidative stress. Some of these microorganisms are opportunistic pathogens implicated in chronic inflammatory conditions including cystic fibrosis. The synthesis, anti-inflammatory, antimicrobial and antioxidant activities of ten new derivatives of benzenesulfonamide bearing carboxamide functionality are herein reported. The base promoted reactions of the appropriate amino acids with substituted benzenesulfonyl chlorides gave the benzene sulphonamides (3a-j) in excellent yields. Palladium mediated amidation of the benzenesulfonamide (3a-j) and ethylamine gave the new carboxamides (4a-j) in excellent yield.All the compounds possessed good antioxidant activity but only compound 4e (IC50 0.3586 mg/mL) had comparable activity with vitamin C (IC50 0.2090 mg/mL). Compound 4e inhibited carrageenan-induced rat-paw edema at 95.58, 88.79, and 86.96 % each at 1 h, 2 h, and 3 h respectively. In the antimicrobial activity study, compound 4f (MIC 7.23 mg/mL) was most potent against E.coli, compound 4j (MIC7.11, 6.42 and 6.32 mg/mL) was the most active against S.aureus, P.aeruginosa and B.subtilis, compound 4h (MIC 7.12 and 6.48 mg/mL) was most active against S.typhi and C.albicans respectively, compound 4c (MIC 6.63 mg/mL) was the most active against A.niger.

This paper deals with the study on the antibacterial activity of TiO2-doped Ag prepared from radiophotography wastewater. The antibacterial agent was prepared by reduction of Ag(I) in the radiophotography wastewater over TiO2 photocatalyst under UV light irradiation and characterized by EDS, XRD, SRUV, and TEM machines. The antibacterial activity in inhibiting the growth of Staphylococcus aureus was examined by counting the number of viable bacterial colonies using the TPC method. The result shows that Ag doping on TiO2 as TiO2-Ag can shift its absorption into the visible region. TiO2-Ag assigns better antibacterial activity compared to TiO2 under visible light irradiation. The efficiency of the antibacterial activity is found to be influenced by Ag loaded in the TiO2, irradiation time, and the antibacterial agent dose. The highest antibacterial activity is achieved by 100 mg/L of TiO2-Ag (2) under 3 h irradiation by visible light.

The environmental challenges motivated researchers to replace conventional energy sources with clean and green energy. The Dye-sensitized Solar Cell (DSC) is fabricated from environmentally friendly material, however, its efficiency is less than the 1st generation solar cells. In this study, the extract from natural plants such as i) Trifolium pratense ii) Mirabilis jalapa, and iii) Bassia scoparia (Kochia scoparia) are used as a photosensitizer in the DSC. These extracts contain a different class of colorants (dye) specifically betalains, chlorophyll, and anthocyanins. The efficiencies of as-prepared DSC using these dyes were measured and compared with each other. The highest efficiency of 0.18% was recorded in DSC using Bassia scoparia extract. The efficiency of DSC using Trifolium pratense and Mirabilis jalapa extract was 0.15% and 0.05% respectively. The photoanodes of DSCs were characterized using UV Visible spectroscopy, PL emission spectroscopy, and FT-IR. The Bassia scoparia extract was found to give better light absorption, photon emission, and sticking capability with TiO2 as compare to Trifolium pratense and Mirabilis jalapa. These natural dyes have never been reported for fabrication of DSC.

In this study, firstly, the vibrational analysis of the bidentate coordination of the title ions to metal was theoretically performed as combined with group-theoretical analysis. In the calculation, the DFT method with B3LYP functional was used at the DEF2-TZVP level set and, cobalt, nickel, and copper were chosen as metal. As expected,the coordination of the ions to the metal atom lowered the symmetry and so, the splitting of degenerate modes occurred together with the appearance of IR inactive modes. The calculated frequencies for all the modes were given together with their symmetry species in tables. These results showed that all the splitting bands of the degenerate modes are nearly center-out, and if the intensity of degenerate mode is high the intensities of its splitting bands are also high or vice versa. Then, to compare, some metal complexes with bidentate and unidentate ligands were optimized and, their calculated frequencies were given together with their corresponding experimental data in tables. From these results it was concluded that the vibrational frequency value of the M-O stretching mode is lower in the unidentate than in the bidentate complexes due to the decreasing of the force constant, and the splitting bands of degenerate modes are larger in the bidentate than in the unidentate complexes.

Some protic ionic liquids (PILs) were synthesized by the direct neutralization reaction of N-methylimidazole and 4-N,N-dimethylaminopyridine as nitrogen-containing heterocyclic organic bases with acetic acid and trifluoroacetic acid. The relative acidity of the prepared ionic liquids was evaluated by Hammet acidity function using UV-Vis spectroscopy. The catalytic effects of the obtained ionic liquids were investigated in the synthesis of 3,4-dihydropyrimidin-2-(1H)-ones and thione derivatives through Biginelli reaction. Among N-methylimidazolium acetate [MImH][OAc], N-methylimidazolium trifluoroacetate [MImH][CF3CO2], 4-N,N-dimethylaminopyridinium acetate [DMAPH][OAc] and 4-N,N-dimethylaminopyridinium trifluoroacetate [DMAPH][CF3CO2], [MImH][OAc] provided the best results. Using 5 mol% of [MImH][OAc] as a catalyst, 3,4-dihydropyrimidin-2-(1H)-ones and thione derivatives were obtained in high to excellent yields at 100 ºC during 15-50 min.

Diorganotin(IV) complexes [(R2Sn)2HL] [where, R = methyl-, butyl- and L = 5-(4-carboxy-phenylazo)-2-hydroxy-benzoic acid] were synthesized by reacting sodium salt of the ligand [Na2HL] with dimethyl or dibutyltin(IV) dichlorides in anhydrous methanol using 2:1 metal-ligand ratio. The complexes were characterized by elemental analysis, UV, IR, 1H, 13C, 119Sn NMR spectroscopy, and Mass spectrometry techniques. The coordination geometry of the complexes was determined using 119Sn NMR spectroscopy and was found to be tetrahedral in solution state. The molecular mass and the proposed structure of the complexes have been predicted by the molecular ion peaks in EI-MS spectra of the complexes. The antibacterial activity of the complexes was investigated by screening against different bacteria with respect to standard drug, Gentamycin.

Matured Cocoa Pod Extract (MCPE) is prepared using Soxhlet extraction and is then characterized using Fourier Transform-Infra Red Spectroscopy (FT-IR), Gas Chromatography-Mass Spectroscopy (GC-MS). The thermal decomposition characteristics are studied using Thermo Gravimetric Analysis- Differential Thermal Analysis (TGA-DTA) method. FT-IR study confirmed the presence of hetero atoms like O, N and GC-MS showed the presence of 15 chemical constituents of which 1,2-bis (trimethylsilyl) benzene is the major constituent present. TGA-DTA studies showed the thermal decomposition of chemical constituents which was supported by GC-MS data. The inhibition efficiency of MCPE is tested in 0.5M HCl medium taking aluminium as target metal by Weight loss method (303K-308K). Anticorrosive property of MCPE was also tested using Electrochemical Impedance Spectroscopy and Potentiodynamic Polarization methods (303K). In all the methods, the inhibition efficiency of MCPE found to increase with increase in % volume of the MCPE exhibiting good agreement with each other. Also, inhibition efficiency decreased with increase in temperature, showing adsorption of inhibitoris by physisorption and thermodynamic parameters are measured. Tafel plots showed MCPE could retard both anodic and cathodic reactions, predominantly acting as anodic type of inhibitor. Surface morphological changes of the metal were studied using Scanning Electron Microscopy which confirmed that MCPE acted as inhibitor by adsorption mechanism.

Bringing up dissociation/ association equilibria, four new correlated equations are suggested for fixing the parameters of less investigated amino acid systems in a given value for two association models including PC-SAFT and CPA EOSs. Correlated parameters including co-volume parameter, association volumes, and the number of segments are dependent on the molecular weight of amino acids and have derived optimizing and fitting the parameters of the much-used aqueous amino acid solution. Moreover, to indicate the applicability of offered new equations, these formulas are utilized to reduce the number of optimized parameters from six to four for less investigated amino acid solutions. In the case of PC-SAFT EOS, the number of segments and association volume are fixed in a specified value and used to adjust four other parameters of PC-SAFT EOS including the segment of diameter, association energy, dispersion energy, and binary interaction parameter for less investigated amino acid solutions. In the case of CPA model, the correlated parameters are co-volume parameter and association volume, and these two parameters are applied to optimize four other parameters of CPA model such as temperature-dependent energy parameter containing a0 and c1, association energy, and binary interaction parameter. Also, the solubility of studied systems is predicted at different temperatures for aqueous binary solutions. Furthermore, osmotic coefficients and water activity of these less investigated systems are evaluated. In the case of PC-SAFT model, the calculated AADs for liquid density, activity coefficient, water activity, osmotic coefficient, and solubility are 0.0032, 0.0864, 0.0058, 0.051, and 4.46*10-4 , respectively. For CPA model, the AADs of these thermodynamic properties are 0.0117, 0.075, 0.0023, 0.16, and 2.79*10-4 , respectively. Both models can reproduce the literature data as well, and though the CPA model is a semi-empirical EOS, it doesn’t have irrelevant answers.

An increase in the global energy demand and also the shortage of conventional crude oil resources have led to an increase in the attention to unconventional crude oil resources. However, unconventional crude oils need additional processes which make their production and refining costly. Therefore, some techniques including heating, dilution, or creating oil in water emulsions have been proposed to solve this problem. In the present study, the dilution method has been investigated to reduce the viscosity of heavy Iranian crude oil produced in the Nowrouz field which has a viscosity of 608 mPa.s and API of 19.5 at 25°C. After a preliminary diluent selection, the examined diluents were kerosene, diesel, and toluene in the range of 5-30% v/v in 25°C. It was found that using toluene at 30% v/v reduces the viscosity of crude oil/diluent blend up to 97% in comparison with initial crude oil. To predict the viscosity of crude oil/diluent blend, simple mixing rules and mixing rules based on the viscosity blending index have been examined. It was found that the prediction accuracy for the crude oil/toluene blends was not satisfactory. Koval, Maxwell, and Almaamari mixing rules showed the best results for predicting the viscosity of blends using kerosene and diesel diluents.

This study aims to estimate the solute transport parameters in saturated porous media using a hybrid algorithm. In this study, the Physical Non-Equilibrium (PNE) model was used to describe the transport of solutes in porous media. A numerical solution for the PNE model is obtained using the Finite Volume Method (FVM) based on the Ttri-Diagonal Matrix Algorithm (TDMA). The developed program, written in Matlab, is capable to solve the advection-dispersion (ADE) and the PNE equations for the mobile -immobile (MIM)model with linear sorption isotherm. The Solute transport parameters, (immobile water content, mass transfer coefficient, and dispersion coefficient), are estimated using different algorithms such as the Levenberg-Marquardt algorithm (LM), genetic algorithm (GA), simulated annealing algorithm (SA). To overcome the limitations of deterministic optimization models which are rather unstable and divergent around a local minimum, a hybrid algorithm (GA+LM, SA+LM) permits to estimate of the solute transport parameters. Numerical solutions are verified using the experiments conducted by Semra (2003) which are about the transport of toluene through a column composed of impregnated Chromosorb grains at ambient temperature (20 °C) for three flow rates (1, 2 and 5ml/min). The results show that the hybrid algorithm (GA+LM, SA+LM) is more accurate than others (GA, SA, and LM). Comparing to the ADE model, The PNE with linear isotherm model gives a better description to the BeakThrough Curves (BTCs) with higher values of determination coefficient (R2 ) and lower values of Root Mean Square Error (RMSE). Also, the solute transport parameters tended to vary with the flow rate.

The size estimating of fluidized Titania agglomerates in a conical fluidized bed was studied by force balance model and fractal scaling analysis. The primary size of titania Nano Particles (NPs) was 21 nm, while for complex agglomerates was in the size range of several hundred micrometers. The formation mechanism of simple-agglomerate and complex-agglomerate structures was studied experimentally. The size distribution and morphology of agglomerates were determined by advanced laser dynamic imaging and scanning electron microscopy. The AFM-nanoindentation test was used to determine the elastic modulus of agglomerates with porous structures. The size distribution of Titania NP agglomerates was estimated by the fractal analysis through the relationship between the number of particles and gyration diameter. The fractal exponent obtained from the power-law scaling of agglomerates and the complex agglomerate sizes were determined experimentally and theoretically. A simple theoretical model was applied to estimate the complex agglomerates' size based on the equilibrium of the separation and cohesion forces. The proposed model showed satisfactory results compared with the experimental data. The results of the present study can help to determine the critical gas velocity in achieving the desired agglomerate size of Titania NPs.

Heat and mass transfer effects in three-dimensional mixed convection flow of Eyring Powell fluid over an exponentially stretching surface with convective boundary conditions are inspected. Cattaneo-Christov Heat Flux model is a modified version of the classical Fourier's law that takes into account the interesting aspect of thermal relaxation time. First-order chemical reaction effects are also taken into account. Similarity transformations are invoked to reduce the leading boundary layer partial differential equations into the ordinary differential equations. The nonlinear, coupled ordinary differential with boundary conditions has been analyzed numerically by using the Finite Element Method.

In this study, an exact analytical solution for the convective heat transfer equation from a semi-spherical fin was presented. To obtain a mathematical model, the system was assumed to be a lump in the vertical direction and the governing equation in the Cartesian coordinate was transferred to the Mathieu equation. The exact solution was compared with numerical results such as the finite difference method and midpoint method with Richardson extrapolation (Midrich). Not surprisingly, the exact solution prevailed over the numerical solutions in terms of accuracy and ease of use. Furthermore, the effect of Biot number on the heat transfer of the fin and the fine performance was investigated. The relative error of the results obtained from the analytical and numerical solutions at the base, center, and tip of the fin was 0, 7.72, and 40.25 percent, respectively. The results showed that the relative error between the analytical and numerical solutions depends on the Biot number and varies as a function of the fin length. The obtained analytical solution could be encouraging from different mathematical and industrial applications' points of view.

A systematic analytical and experimental method of identification of Two Input Two Output (TITO) Quadruple-Tank Process (QTP), operated at non-minimum phase condition has been presented. Parameters of the process transfer function matrix have been validated on an experimental laboratory-scale physical setup of the process. Appropriate input-output pairing and interaction among control loops have been studied based on the Relative Gain Array (RGA) analysis. Inverted Decoupling Internal Model Control (IMC) based Proportional Integral Derivative (PID) controller has been designed for the TITO process. The effect of changes in controller tuning parameters on the closed-loop response for servo problem has been reported in terms of quantitative performance indices such as Integral of Square of Error (ISE), Integral of Absolute Error (IAE), percentage overshoot and offset. The simulation results have been compared with the literature.