فهرست مطالب

Iranian Journal of Chemistry and Chemical Engineering
Volume:39 Issue: 3, May-Jun 2020

  • تاریخ انتشار: 1399/05/28
  • تعداد عناوین: 26
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  • Shabnam Sohrabnezhad *, Aboilfazl Jafarzadeh, Mehdi Rassa Pages 1-11
    In this research, the fabrication of MCM-41 mesoporous material nanofibers by an electrospinning technique was performed. The MCM-41 nanofibers (MCM-41 NFs) as a novel host on the incorporation of silver has been studied in [Ag(NH3)2]NO3 precursor solution through the heat-treatment process. The formation of silver-loaded MCM-41 NFs at various calcinating temperatures were also studied. The silver-containing materials (Ag/MCM-41 NFs) were characterized using Fourier Transform InfraRed (FT-IR) spectroscopy, powder X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), UltraViolet-Visible Diffuse Reflectance Spectroscopy (UV-Vis DRS), and Transmission Electron Microscopy (TEM). The results indicated that both Ag and Ag2O NanoParticles (NPs) were loaded in MCM-41 NFs at different calcinating temperature. Silver compounds with a diameter of 10−15 nm were highly dispersed in the framework of mesoporous silica nanofibers. The results indicated that Ag loading contents on the MCM-41NFs were 10.53 wt%. These Ag/MCM-41 NFs Possess an enhanced antibacterial effective against both Gram-positive and Gram-negative bacteria by preventing the aggregation of silver NPs and continuously releasing silver ions. In general, the silver-containing materials with more Ag2O NPs demonstrated an excellent antibacterial activity. The Minimum Inhibitory Concentrations (MIC) obtained 30 and 60 µg/mLfor the silver-containing MCM-41 NFs with more Ag2O NPs against E. coli and S. aureus, respectively. MCM-41 type nanofibers play an important role in the antibacterial activity of nanocomposites.
    Keywords: MCM-41 nanofibers, Ag, MCM-41 nanofibers, Antibacterial activity, Ag2O-MCM-41 nanofibers, Diffuse Reflectance Spectroscopy
  • MohammadReza Zare, Davood Azarifar, Omolbanin Badalkhani, Mehdi Jaymand * Pages 13-22

    Sulfonated magnetic nanoparticles (SO3H-Fe3O4@SiO2 MNPs) have been explored as an efficient, cost-effective, and recyclable nanocatalyst for the facile synthesis of 3,4-dihydro-2H-indazolo[1,2-b]phthalazin-1,6,11(13H)-triones through a one-pot three-component reaction between aldehydes, dimedone, and phthalhydrazide under mild and green (solvent-free) conditions. Simple separation of the catalyst using an external magnet, efficient recyclability of the developed magnetic nanocatalyst up to five fresh runs without significant loss in its catalytic activity, excellent yields of the designed reactions (88 to 98%), low reaction times as well as solvent-free and facial reaction condition are some advantages of the present procedure that qualified the fabricated magnetic nanocatalyst for industrial applications.

    Keywords: Organic synthesis, Sulfonated magnetic nanoparticles, nanocatalyst, Green Chemistry, Recyclability
  • Hayati Mamur *, MohammadRuhul Amin Bhuiyan Pages 23-33

    An efficient and cost-effective approach in the synthesis process of the bismuth telluride (Bi2Te3) powders and pellets were developed based on a chemical solution route. The route consists of dissolving of both the bismuth (III) nitrate pentahydrate, Bi(NO3)3.5H2O, and tellurium dioxide, TeO2 into the same inorganic nitric acid, HNO3 with the two-step precipitation of sodium hydroxide, NaOH and sodium borohydride, NaBH4. The different characterization parameters such as X–Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Energy Dispersive X–ray (EDX), Transmission Electron Microscopy (TEM), Atomic Force Microscopy (AFM), UltraViolet (UV) absorbance and Fourier Transform InfraRed (FT-IR) spectrometry were carried out. As a result of these, the developed powders possessed a rhombohedral crystal structure exhibiting a nanocrystalline form with a crystalline size of about 10 nm. The elemental of Bi and Te were developed with their stoichiometric atomic ratio of (30.15):(48.19). Furthermore, the TEM micrographs showed an aggregate phenomenon and the primary crystalline size being quite low. Additionally, the produced Bi2Te3 pellets indicated a smooth surface with an average roughness value of 58 nm according to the AFM image. Absorption has occurred at about a range within 1 (arbitrary unit). Ultimately, the FT-IR demonstrated that the C–H, O–H, C–O, and C–S bonds were similar to the Bi2Te3 nanostructured materials.

    Keywords: Bi2Te3, Chemical solution route, Nanostructure materials, Nanocrystalline form
  • Manoochehr Aghajeri, AliReza Kiasat *, Haleh Sanaeishoar Pages 35-48

    By the immobilization of bipyridinium chloride onto mesoporous MCM-41encapsulated Fe3O4 nanoparticles via a simple post-synthesis method, a totally new organic-inorganic hybrid nanocomposite was formulated. The heterogeneous hybrid nanomagnetic composite was characterized by Fourier Transform InfraRed (FT-IR), X-Ray powder Diffraction (XRD), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), Vibrating Sample Magnetometer (VSM) and Thermal Gravimetric Analytical (TGA). The potential applications of this novel nanomagnetic and recyclable basic nanocomposite, Fe3O4@MCM-BP, were also investigated for solvent-free synthesis of 1,4-dihydropyridine, polyhydroquinoline, and polyhydroacridine derivatives via Hantzsch multicomponent condensation reaction. High isolated yields, operational simplicity, clean reaction conditions and minimum pollution of the environment, makes the procedure a useful and appealing process in organic transformation.

    Keywords: Hantzsch reaction, Fe3O4@MCM-Bp, Magnetic nanocatalyst, Dihydropyridine, polyhydroqunoline, polyhydroacridine
  • Salima Haroune, Madjid Berkani *, Leszek Rycerz Pages 49-59
    In the present work, we have synthesizedgadolinium(III) bromide, GdBr3 from the gadolinium oxide, Gd2O3 by sintering brominating with ammonium bromide, NH4Br. The influence of three main synthesis parameters (contact time, stoichiometry, and temperature) on the reaction yield was studied and optimized. This study showed that the optimum conditions for the synthesis of GdBr3 are the following: contact time t = 90 min, stoichiometry in moles (Gd2O3:NH4Br = 1:18) and temperature T = 350 °C.  The reaction yield for these parameters was equal to 97.27%. The modeling of the results of our experiments using a 23 full factorial design with six replicates at the center point gives us a first-degree model where it is clear that the reaction yield is a function of these three parameters.
    Keywords: Gadolinium(III) bromide, lanthanide halides, reaction yield, 23 full factorial design
  • Zahra Shahidian, Karim Zare *, Sayyed Mahmood Moosavi Safavi Pages 61-69
    A particular type of mesopore extrudates gamma alumina was prepared; which is used as the catalyst in the heavy oil desulfurization unit. Extrudates gamma-alumina support has been made of the boehmite powder from Nephlinsinite mine ores (Surface Area (S.A.) >200 m2/g, Pore Volume (P.V.) =0.48 cm3/g, Average Pore Diameter (A.P.D.) = 8.10 nm); then, many samples of extrudate gamma-alumina (γ-Al2O3) have been created to carry out a research the thermal and ammonia treatments under various operating situations (thermal effect 25,40,60,80 and 100ºC and Consecutive treatments) so as to exhibit the effects of different operating conditions on the pore volume and diameter in the prepared γ-Al2O3 heavy oil catalyst support. Textural properties of catalyst support have been identified by X-Ray Diffraction (XRD), N2-adsorption/desorption, FT-IR, radial strength, and Loss of Ignition (L.O.I) methods. The best effect of the ammonia treatment on the extrudate γ-Al2O3 support was observed after three ammonia treatments at 80ºC; under those circumstances, the resulted catalyst support has the highest amount of resemblance along with the commercial sample (S.A.=215.75 m2/g, P.V.=0.83 cm3/g, A.P.D. =15.49nm).
    Keywords: Thermal treatment, Gamma alumina (γ-Al2O3), Mesoporous alumina, Desulfurization of heavy oil
  • Zahra Shahidian, Karim Zare * Pages 71-80
    A specific type of mesopore extrudates gamma alumina was prepared; which is applied as the catalyst in the heavy oil hydrodesulfurization unit. Extrudates gamma alumina has been devised the boehmite powder; several samples have been utilized to investigate the concentration and the number of acetic acid treatment effects on the textural properties. Textural properties of catalyst support have been characterized by X-Ray Diffraction, N2-adsorption/desorption techniques, the best results were observed at 25% acetic acid after three times treatments. The active metals (3.71%Molybdenium &1.43%Nickle) have been impregnated on the catalyst support. The prepared catalyst determined by X-Ray Fluorescence, N2- adsorption/desorption, bench-scale reactor test, NH3-Temperature Programmed Desorption and Radial Strength techniques.
    Keywords: Acidic treatment, Gamma alumina (𝛾-Al2O3), Mesopore support, Heavy oil hydrodesulfurization catalyst
  • Azam Akbari *, Hojatollah Haji Andevary Pages 81-92
    Inexpensive and low-viscosity Protic Acidic Ionic Liquids (PAILs) of N-metheyl-2-pyrrolidone formate, acetate, and propionate abbreviated as [Hnmp][HCOO], [Hnmp][CH3COO] and [Hnmp][CH3CH2COO] respectively, were prepared and characterized by FT-IR and H-NMR. Deep oxidative and extractive desulfurization of a simulated oil and a real diesel containing 1000 ppmw sulfur were studied under the catalysis of the proposed PAILs without additional carboxylic acid and extraction solvent in the system. The desulfurization efficiency in this study was influenced by both amounts of PAILs and concentration of the produced peroxy acids from H2O2. Comparing to [Hnmp][HCOO], [Hnmp][CH3COO] and [Hnmp][CH3CH2COO] had a relatively higher extraction ability however the weaker acidic properties of them resulted in a lower activation of H2O2 to produce peroxy acids and finally led to lower oxidative desulfurization (ODS) efficiency in the same condition. Additionally, the neutralization reaction may not be efficiently gone to the right hand by weaker acids. The effects of the main process variables were studied in detail. The highest desulfurization yield of 97% for BT and 99% for DBT and 4,6-DMDBT, were achieved using [Hnmp][HCOO] in the ODS system at a temperature of 40 °C, H2O2/sulfur molar ratio of 10, VPAIL/Voil of 0.2, and a reaction time of 90 min. The immiscibility of the proposed PAILs in this study with the oil phase caused the easy separation of them after desulfurization. The possible ODS pathway was also proposed.
    Keywords: Oxidative desulfurization, Ionic liquid, Carboxylic acid, catalyst, Thiophenic compounds
  • HamidReza Moshayedi, Mohammad Rabiee *, Navid Rabiee Pages 93-105

    In this study, a multi nanosensor was fabricated for the simultaneous detection of carbon dioxide, methane, ethanol, and ammonia gases, and its electrochemical response to various concentrations of these gases were investigated. In order to fabricate this multi nanosensor, in the first phase, the Graphene-Oxide/Polyaniline (GO/PANI) nanocomposite was synthesized. Chemical composition, morphology and the structure of the nano-composite was studied by Fourier Transform InfraRed (FT-IR) spectroscopy, Field Emission-Scanning Electron Microscopy (FE-SEM), High-Resolution Transmission Electron Microscopy (HR-TEM) and X-Ray Diffraction (XRD). The results indicate that the GO successfully synthesized and the polyaniline particles are well bonded on the surface of the GO sheets. In the second phase, the formed nano-composite was placed on silver-coated electrodes and then, by placing the nanoparticles of aluminum oxide, zinc oxide, tin oxide, and titanium oxide, the different parts of the multi-nano sensor were became more sensitive toward the four mentioned gases. The responsiveness and sensitivity of the multi-nano sensor to each of the gaseswere measured by amperometric experiments and the results showed that the sensitivity of the multi-nano sensor fabricated to the detection of the above gases is acceptable. The results of the electrochemical tests showed that the response of each multi-nano sensor component to a mixture of the above four gas is defined as a four unknown equation and with considering the responses of 4 multi-nano sensor components simultaneously to the 4-gas mixture, 4 × 4unknown equations are obtained, which by solving the equation one can be found the exact concentration of each of the 4 measured gases.

    Keywords: Simultaneous detection, Nano-composite, carbon-based nanomaterial, multi-nano sensor
  • Farshad Fahim, Jalal Shayegan * Pages 107-116
    The feasibility of measuring CO2 content in biogas was evaluated in this research. Firstly, Curtipot pH simulator was used to visualize the titration behaviors of various percentages of dissolved CO2 in a wide range of concentrations of NaOH solution. As a general output of those simulations, it was shown that when the titration curves of different CO2 content samples are separated enough, titration can provide precise information about the value of dissolved CO2. Also, when the ratio of the molar concentration of NaOH to the molar concentration of CO2 is in the range of 1 to 2(equivalent to the stoichiometric ratio of bicarbonate and carbonate), the separability of the curves is enough satisfactory to be used for precise determination of CO2; Outside this range, the accuracy of data segregation by titration diminishes. Moreover, when the ratio of the molar concentration of NaOH to CO2 is between 1 and 2, by only a one-time probing, it is possible to determine the concentration of CO2 in the standard NaOH solution. In this case, titration over a wide range of pH does not provide more reliable and accurate information. The effects of temperature CO2 measurement shows that a difference of even 10 °C can only cause less than 1% decrease in CO2 estimation. Finally, a comparison between gas chromatography and pH measurement was performed and the experimental results showed closeness the results of our proposed method with that of GC(less than 0.05% relative error). This method can be used in designing a non-expensive measuring method that would pave down the road for developing countries.
    Keywords: Biogas, Anaerobic processes, Biogas measurement content, Titration, Gas absorption, curtipot software
  • Roghieh Gharanjik, Mahmoud Nassiri *, Hosein Hashemi Pages 117-126
    A simple, fast and effective pre-concentration method for the determination of Cu (copper) and Ni (nickel) was developed using a Surfactant Assisted Dispersive Liquid-Liquid Microextraction (SA-DLLME) coupled by UV-Vis spectrophotometry in marine brown algae. The complexing agent was 1- (2- pyridylazo) – 2 - naphthol (PAN).The effects of various experimental parameters in the extraction step including type and volume of extraction solvent, type and amount of surfactant, ionic strength, extraction time, pH, amount of ligand, and centrifugation time and rate were investigated. Under optimal experimental conditions, good linearity was observed in the range of 0.1-100.0 µg/Lfor analytes by limits of detection of 0.031 and 0.033 µg/Lfor Ni and Cu, respectively. The proposed procedure was used for the analysis of Ni and Cu in marine brown algae. Good recoveries for spiked samples in the range of 100-118 % were obtained. Using this technique, metals content in algae from Chabahar Bay (Southeast Iran) were detected in the range of 12.80- 39.46 µg/L
    Keywords: copper, Nickel, Algae, Surfactant assisted dispersive liquid-liquid microextraction (SA-DLLME), Chabahar Bay
  • Samaneh Khani, Farideh Mofazzeli * Pages 127-136
    The present research describes the use of directly suspended drop microextraction and air-assisted dispersive liquid-liquid microextraction method coupled with UV-Vis spectrophotometer for the analysis of doxepin in water and biological samples. Several important parameters which influence the extraction efficiencies of these two microextraction methods, such as the kind of extracting solvent, volume of the aqueous sample solution (donor phase), the volume of the organic extraction solvent (acceptor phase), pH of the donor phase, salt effect, extraction time, stirring rate and number of the air injection were investigated. Under the optimal conditions, the enrichment factors were above 30. The linearity of the methods has been investigated between the ranges of 0.005-1.5 and 0.003-1 µg/mL. The precisions of two methods which are based on the average relative standard deviations are lower than 6, for three different concentrations of the analyte. Finally, the proposed methods were applied for the determination of doxepin in real samples including environmental water, urine and human plasma samples under the optimal conditions and the reasonable relative recoveries were obtained.
    Keywords: Directly suspended drop microextraction (DSDME), Air-assisted dispersive liquid-liquid microextraction (AADLLME), Doxepin, Plasma, Urine, Water analysis, UV-Vis spectrophotometer
  • Hamid Jandaghi, MohammadMahdi Ghahramani Seno, HamidReza Farzin, Mohammad Mohsenzadeh * Pages 137-146

    Listeria monocytogenes is a species of foodborne pathogen often related to foods, such as poultry, ready-to-eat products, fruits, and vegetables. The culture method is a standard procedure for the detection of bacteria in food products. The real-time quantitative PCR (qPCR) technique can be used for the quantification of foodborne pathogens. The current research was aimed to assess and compare the culture, conventional PCR, and qPCR methods for detecting L. monocytogenes in chicken carcass specimens collected from various slaughterhouses situated in Mashhad in Iran. The TaqMan approach was applied for amplifying a 160 bp fragment corresponding to the prfA gene in the qPCR method. The Limit of Detection (LOD) was obtained at 27 CFU/25 g. Among 100 individual specimens tested, 13 specimens were recognized positive for L. monocytogenes using the culture method, 15 samples by the direct qPCR method, and 17 samples by the enrichment/qPCR method. From the similarity of the results of PCR and qPCR, without the enrichment stage, it can be concluded that the DNA of the bacteria killed in the specimens was due to the presence of previous contamination, which can be determined by determining the number of copies of DNA by qPCR. The severity of contamination indicates the health status of the foodstuff. Our results indicate that qPCR is an effective, quicker, and more sensitive technique for the identification of L. monocytogenes in chicken.

    Keywords: Listeria monocytogenes, Real-time PCR, prfA, foodborne pathogen
  • Ibtiehl Saidi *, Jamel Ben Abdelmalek, Olfa Ben Said, Luis Chicharo, Hamouda Beyrem Pages 147-158
    This study aims to determine the major elements of Portland cement type I and II (CEMI and CEMII) in a cement factory in north Tunisia and which metal elements are introduced into the production process. We determine also the metal input rate and their distribution at the entrance and exit of the process. The major elements were analyzed and the trace elements (Arsenic, barium, lead, mercury, boron, strontium, Cadmium, Chromium, copper, manganese, nickel, and zinc) were identified. The concentrations of heavy metals in CEMI showed no significant difference p
    Keywords: Portland cement, heavy metals, raw materials, Clinker, cement kiln dust, environmental auditing
  • Sara Ramandi, Mohammad H. Entezari *, Narjes Ghows Pages 159-173
    Anatase N-doped TiO2 nanoparticles were synthesized using ultrasound at low frequency and room temperature. The samples characterized by techniques including XRD, TEM, HRTEM, FT-IR, XPS, and UV–Vis spectroscopy. XPS indicated the existence of nitrogen as an anion dopant within the TiO2 lattice. The solar photocatalytic activity of N-doped TiO2 studied for the degradation and complete mineralization of Diclofenac (DCF). The results showed that the catalytic activity of the nanoparticles related to the operating conditions in the synthesis such as temperature and time of sonication. DCF degradation followed the pseudo-first-order kinetics model under different conditions. Results showed that photogenerated electrons on the catalyst surface played an important role in the mechanism of photocatalytic degradation of DCF. It also confirmed that in the presence of oxygen, the formation of oxidative species such as singlet oxygen and superoxide radicals had major roles in the degradation of DCF.
    Keywords: Ultrasound, N-doped TiO2 nanoparticles, Photocatalytic degradation, Diclofenac, Mineralization
  • Fatma Erdem *, Mübeccel Ergun Pages 175-187
    In this study, Remazol Yellow (RR) removal was investigated by Saccharomyces cerevisiae immobilized on pumice stone. For the immobilization process, a new technic was used and immobilization matrix HCl pretreated pumice stone was added to the growth medium of microorganism. pH, initial biosorbent (Co), and dye concentration (Cb) effect on biosorption were optimized through the Response Surface Methodology (RSM) and the second-order quadratic model was used to describe the effects of parameters successfully. At optimum conditions pH 3, Cb 2.5 g/L, C0 400 ppm maximum dye removal was 99%, and 140 mg/g capacity was cached. When pumice stone, HCl treated pumice stone and Saccharomyces cerevisiae were used in biosorption experiments directly 44%, 69%, 75% dye removal was obtained respectively. 0.5 M NaOH (pH 13.69) and water (pH 8) were chosen as a desorption agent for the immobilized biosorbent. Desorption efficiency was found 21% with 0.5 M NaOH and 1.5% with water (pH 8). The characterization studies were performed by using Scanning Electron Microscope (SEM) and Fourier Transformer InfraRed (FT-IR) spectroscopy. The results indicate that immobilized biosorbent is a promising alternative for the biosorption of Remazol Yellow (RR) from aqueous solutions.
    Keywords: Immobilization, S. cerevisiae, Remazol Yellow (RR), Pumice Stone
  • Masoumeh Moradzadeh, Khosro Ashrafi *, Majid Shafiepour Motlagh Pages 189-202
    The South Pars zone in Iran encompasses the largest gas refineries and petrochemical complexes in the world. In the South Pars zone, elevated concentrations of reactive hydrocarbons co-emitted with nitrogen oxides from industrial facilities lead to substantial ozone production downwind. To understand the role of these emissions on the ozone formation and, to formulate appropriate control strategies in this zone, emissions of precursors of ozone were quantified, and compounds that deserve relatively more attention were determined. To do this, first, a fully- speciated ozone precursors emission inventory was prepared to provide necessary input data for air quality simulation models. Then, the emission inventory was weighted by emitted mass and incremental reactivity scales to determine which compounds deserve relatively more detailed representation in the modeling. Afterward, a photochemical model was applied to determine the ozone sensitivity to its precursors. Finally, source apportionment was done for the most important compounds. Additionally, the reactivity-based inventory was compared with other regions. Results show that nitrogen oxides -sensitive chemistry is dominant in the zone thus the most effective control strategy is the mitigation of the nitrogen oxides emissions. Gas refinery plants have a larger share than petrochemical plants in the nitrogen oxides emission and, the gas turbines are the main sources of nitrogen oxides emission in this region. Emitted volatile organic compounds contain more highly reactive species in comparison with the ambient air composition of typical urban areas and areas with gas production industries. Propylene and ethylene have the most contribution to the ozone formation in comparison with other volatile organic compounds. The major sources of their emissions are the olefin processes and polymer production plants.
    Keywords: Reactivity-based emission inventory, Speciation, Highly-reactive VOCs, Photochemical model, Reactivity scale
  • Ali Izadi, Morteza Hosseini *, Farshid Pajoum Shariati, Ghasem Najafpour Darzi, Gholamreza Nabi Bidhendi Pages 203-211
    In this study, a novel integrated Hybrid Airlift Membrane Bioreactor (HAMBR) composed of oxic, anoxic, and anaerobic zones was developed to simultaneously remove organic matter and nitrogen from real paper-recycling wastewater. The removal efficiencies of Chemical Oxygen Demand (COD), ammonium, nitrite, nitrate and Total Nitrogen (TN) for permeate and supernatant were in the range of 88-99%, 54-83%, 70-90%, 65-95% and 61-90%, respectively. In addition, the membrane fouling was evaluated by Trans-Membrane Pressure (TMP) monitoring during the experimental period at a constant flux of 12 L/m2h,and the rate of TMP increase was 1.75 mbar/day. The results showed that the hybrid airlift membrane bioreactor can be applied effectively to the simultaneous removal of organic and nutrient from real wastewater and the performance of the membrane bioreactor was satisfactory in terms of resistance against membrane fouling phenomenon, which is an important parameter during HAMBR operation.
    Keywords: Paper-recycling wastewater, hybrid airlift membrane bioreactor (HAMBR), Membrane fouling, organic matter
  • Ehsan Salehi *, Majid Yarali, Abtin Ebadi Amooghin Pages 213-229
    Adsorption of gold cyanide on three types of Activated Carbons (ACs) has been investigated in batch and column adsorption conditions. Applied ACs have been derived from different crops precursors i.e., coconut shell (CAC), peach stone (PAC), and walnut shell (WAC). As peach stone and walnut shells are abundant agricultural residues in Iran, the activated carbons produced from these precursors are economically preferable for the gold recovery process. The ACs were characterized using FTIR, SEM, BET, and Wet-Bed Compaction Hardness analyses. Batch equilibrium adsorption data were analyzed using the Langmuir, Freundlich, Temkin, and Dubinin–Radushkevich isotherm models. Freundlich isotherm was in better agreement with the equilibrium data and the maximum adsorption capacity (40.8 mg/g) was tabulated for CAC. Adsorption kinetics was also modeled using pseudo-first-order, pseudo-second-order, and intraparticle diffusion models. The PAC recorded the highest removal rate in the light of better agreement of the pseudo-second-order model. Fixed-bed column experiments were carried out at different initial gold concentrations (30, 50 mg/L) to determine the characteristics of the breakthrough curves. The maximum bed capacity (37.55 mg/g) was obtained for CAC. Three dynamic adsorption models including, Thomas, Yoon–Nelson, and Adam–Bohart,were applied to describe the breakthrough curves. Both Thomas and Yoon–Nelson models were in appropriate agreement with the experimental column adsorption data. This research introduces peach stone as a promising precursor considering availability, technical features, and economical aspects for the production of AC for gold recovery from cyanide leach solutions. Results are also conducive for gold mining industries to select the appropriate activated carbon.
    Keywords: Adsorption, Pregnant liquor, Gold cyanide, Fixed-bed column, Breakthrough curves
  • Mohammad Barzegar Jalali, Abolghasem Jouyban, Hemayat Shekari, Seyyedeh Narjes Mirheydari * Pages 231-239
    Thedensity(ρ) and speed of sound (u)of the binarymixture (diethylene glycol monoethyl ether (carbitol) + propylene glycol (PG)) have been reported at T= (288.15, 298.15, 308.15 and 318.15) K. The excess molar volume ( ) and isentropic compressibility deviation (Δκs) were calculated using the measured data. The obtained values of ( ) and (Δκs) are negative and positive, respectively, and become more negative and more positive with an increase in carbitol mole fraction. The ρ, u, Vm and κs values of the mixture were correlated by the Jouyban-Acree model with high accuracy. Furthermore, the calculated  and Δκs values were correlated well by the Redlich-Kister equation.
    Keywords: Density, Speed of Sound, Propylene glycol, Diethylene glycol monoethyl ether
  • Minati Baral *, Kirandeep Kaur, B .Kanungo Pages 241-256

    A new tris-(2-aminoethyl)amine (TREN) capped tripodal Schiff base ligand has been developed by mimicking structural features of a natural siderophore, Bacillibactin, by substituting the catechol units with salicylaldehyde and employing amino acid as spacer. Synthesis of the ligand N-[2-[bis[2-[[2-[(2-hydroxyphenyl)methylamino]acetyl] amino]ethyl]amino]ethyl]-2-[(2-hydroxyphenyl)methylamino]acetamide(TRENglySAL) includes condensation of salicylaldehyde  and amino acid (glycine) followed by an in-situ reduction of the produced Schiff base, followed by further condensation with TREN. The complexation behavior of the ligand with Fe(III) has been investigated by potentiometric and UV-Vis spectrophotometric method at temperature 25±1oC and 0.1 M ionic strength. Seven protonation constants were obtained of the ligand: three each for secondary amine and phenolic protons and one for tertiary nitrogen of capping TREN moiety. The formation constants (log β11n) of different complex species MLH3, MLH2, MLH, ML and MLH-1 are found to be 35.15, 32.09, 27.91, 25.32 and 17.32 respectively. These results indicate that the ligand is an excellent iron binding chelator. Significant electronic spectral variations during complex formation at higher pH also provide a scope for the ligand to act as an optical pH sensor towards Fe (III) metal ion in biological systems. Structures of the ligand and metal complexes are proposed through experimental findings along with the theoretical semi-empirical PM3 calculation. The theoretical spectroscopic results are found to be comparable with the experimental finding.

    Keywords: Siderophores, Bacillibactin, TREN, Biomimetic synthesis, Protonation constants, Stability constants
  • Imene Bayach *, Teng Yong Tan, Vijay Manickam Achari, Rauzah Hashim Pages 257-269
    Density Functional Theory (DFT) calculations have been carried out using a Polarizable Continuum Model (PCM) in an attempt to investigate the electro-molecular properties of branched-chain glucoside (C14C10-D-glucoside) isomers. The results showed that αconfiguration of pyranoside form is thermodynamically the most stable, while the solution should contain much more β than α, according to the calculated Boltzmann distribution. Additionally, C14C10-β-D-xylopyranoside is studied for comparison with its glucoside analog in order to investigate the electronic effect of the hydroxymethyl (−CH2-OH) group at position 5-C. The topological parameters of intramolecular X-H∙∙∙Y hydrogen bonds were analyzed and the nature of these interactions were considered using the Atoms in Molecules (AIM) approach. Moreover, natural bond orbital analysis (NBO) was performed to define bond orders, charge, and lone pair electrons on each atom and effective non-bonding interactions. HOMO/LUMO analysis allowed the description of investigated isomers and led to a further understanding of their behaviors. The computational results, especially intramolecular hydrogen bonding and molecular electronic potential analysis are directly relevant to liquid crystal self-assembly and membrane biophysics.
    Keywords: Guerbet Glycolipids, C14C10-D-glucoside, Hydrogen bonding, DFT, AIM, NBO
  • Karim Merzougui *, A. Hasseine, S. Regab, D. Laiadi _ Pages 271-285
    Liquid-liquid equilibrium (LLE) problems such as phase stability analysis, phase equilibrium calculations, chemical equilibrium calculations, binary interaction parameter identification of thermodynamic models and other problems of fluid characterization have been the core subject of many recent studies. This study introduces Cuckoo Search (CS), Firefly Algorithms (FA) and its variants as parameter identification methods for modeling the activity coefficients of 30 ternary systems using the NRTL and UNIQUAC models. In addition, we analyze and compare the performance of these algorithms to that of the other algorithms. The results show that the hybridization of CS and FA performs better in both speed and accuracy than similar problems based on the other met-heurists methods.
    Keywords: liquid-liquid equilibrium, Optimization, Cuckoo Search, firefly algorithm, hybridization
  • Lotfi Snoussi, Shaik Babu, Jose V. Herráez, Noureddine Ouerfelli *, Shamim Akhtar, Ahlam Al-Arfaj Pages 287-301
    Calculation of excess quantities of ethylene glycol + water binary fluid systems at seven absolute temperatures (293.15 to 353.15) K from experimentally determined values of density and shear viscosity were presented in previous work. The examination of related functions beside the quality of correlation from several equations on these experimental values has also been reported. Considering the quasi-equality between Arrhenius activation energy of viscosity Ea and the enthalpy of activation for viscous flow DH*, over with their individual's contribution separately we can define partial molar activation energy Ea1 and Ea2 for ethylene glycol with water respectively. Correlation between Arrhenius parameters also shows desirable Arrhenius temperature. Comparison to the vaporization temperature in the fluid vapor equilibrium and the limiting corresponding partial quantities permit us to predict the value of the boiling points of the pure constituents. New empirical equations to estimate the boiling point are developed.
    Keywords: Binary fluid systems, shear viscosity, Arrhenius activation energy, ethylene glycol, boiling temperature
  • Saliha Çetinyokuş *, Emre Çalışkan, Erdem Aksakal, Tahsin Çetinyokuş Pages 303-318
    Software evaluation and selection have begun to be addressed as a topic title along with the fact that microcomputers and then personal computers have become widespread and have been used in the operations of businesses. In this study, it was focused on the selection of software for identifying the physical effect distances of the explosion, fire, and toxic emission, which is an important need for industrial institutions containing, using or storing hazardous chemicals. The evaluation and selection of software for the Hazard Analysis and Consequence Modeling (HACM) of potential accidents was studied at first. In means of methodology, questionnaires consisting of original questions were applied to the experts. The results obtained from questionnaires according to the Likert scale, were converted into Analytical Hierarchy Process (AHP) suggestion matrices. In this way, the inconsistency problem in the pairwise comparison matrices was eliminated. As a result, evaluation and selection were made among the HACM software.
    Keywords: analytic hierarchy process, Group decision making, Hazard analysis, consequence modeling software, Likert scale, Software selection
  • Amera Elmenshawe, Ahmed Abdelrazak *, Amr M. Mowafey, Yehia Osman Pages 319-330
    One of the major steps toward the industrialization of the microbial product(s) is to optimize the cultivation conditions at the large-scale bioreactor and successfully control the microbial behavior within a large scale production environment. Statistical Design of Experiment was proven to optimize a vast number of microbial processes to achieve robustness and explore possible interactions among the variables. In this research, Taguchi Orthogonal Array was applied to optimize the cultivation condition of a newly isolated Prodigiosin-producing marine bacterial strain, Serratia AM8887, at the bioreactor level. The two-steps fermentation process was applied; as the productivity was scaled up from shake flask level to a benchtop bioreactor (5L) and subsequently to an in-situ sterilization bioreactor system (20L); yielding a 7g/L of the pigment; compared to 100mg/L before optimization confirming that; applying Taguchi experimental design is a reliable and good positive option for the optimization of biotechnological processes. The produced pigment was purified and the chemical structure was revealed using Spectrophotometric, Mass Spectrum (MS), Fourier Transform InfraRed (FT-IR), and proton Nuclear Magnetic Resonance (1H-NMR) spectroscopy analysis. The biological activity including antibacterial (against multidrug resistance), antioxidants (against 1,1-diphenyl-2-picrilhydrazyl) and cytotoxicity to cancer cell lines (against breast cancer MCF-7 and liver cancer HepG-2) of the pigment were explored showing very characteristic features that could be helpful in food, pharmaceuticals, and/or textile industries
    Keywords: Bioreactor, Taguchi, Prodigiosin, Antimicrobial, Antioxidant, Anticancer