@article { author = {Kalhor, Mehdi and Seyedzade, Zahra}, title = {One-Step Synthesis of Dicyano Imidazoles by (NH4)2Ce(NO3)6/HNO3 Promoted Oxidative Cyclocondensation of an Aldehyde and 2,3-diaminomaleonitrile}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {1-8}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36494}, abstract = {The purpose of this study is to obtain a facile, mild, and effective synthetic method for the one-pot synthesis of 2-aryl-4,5-dicarbonitrile imidazole derivatives 3a-q from oxidative cyclo-condensation of aromatic aldehydes and 2,3-diaminomaleonitrile (DAMN) by cerium(IV) ammonium nitrate/nitric acid (CAN/NA) as a novel and efficient oxidation catalyst. This synthetic protocol is cost-effective in addition to other advantages such as rapid transformation with good to excellent yields of products, one-step process and avoiding the pre-functionalization of the starting materials, simple workup procedure and easy operation under mild conditions in comparison previously report. These valuable conditions may be ideally suited for an effective synthesis of dicyano imidazole heterocycles on a larger scale.}, keywords = {One-step synthesis,Catalytic oxidation,Ceric ammonium nitrate (CAN)/HNO3,Diaminomaleonitrile,Dicyano imidazole}, url = {https://ijcce.ac.ir/article_36494.html}, eprint = {https://ijcce.ac.ir/article_36494_e58cee50b713b264137dd61eea90ed99.pdf} } @article { author = {Zhang, Hong-Mei and Ma, Liao and Li, Jin-Lian and Zhang, Jin-Tao and Liu, Ming and Zhao, Jing-Ying and Zhao, Liang}, title = {Numerical Simulation of Reaction Mechanism of Ethane Pyrolysis to Form Benzene and Styrene}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {9-18}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36136}, abstract = {Based on Materials Studio and Aspen Plus, the reaction mechanism of producing benzene and styrene from ethane steam heat lysis was investigated through the addition reaction of free radicals + alkenes or free radicals + alkynes to form large free radicals and then through the cyclization and dehydrogenation of large free radicals to form aromatic hydrocarbons. It was found the thermal cracking of ethane had 2 paths to form benzene and 1 path to form styrene. The 1st path to form benzene is that the product ethylene form C2H3• through a chain transfer, then C2H3• and ethylene additively react to form 1-C4H7•-4, which then reacts with ethylene to form C6H11•, and finally, benzene is produced by dehydrogenation and transfer of C6H11•. The 2nd path to form benzene is that acetylene is produced by dehydrogenation of C2H3•, and then acetylene reacts via two sub-paths to form 1,3-C4H5•-4, which is cyclized to form C6H9•, and finally, benzene is formed through dehydrogenation and transfer. The path to form styrene is that 1,3-C4H5•-4 and 1,3-butadiene are cyclized to form C8H11•, and styrene is finally formed through dehydrogenation and chain transfer. Comparative analysis with industrial data showed there were 3 cycles in the ethane thermal cracking reaction network. The simulation data were well consistent with the industrial production data.}, keywords = {Ethane,Pyrolysis,ethylene,Benzene,Styrene,numerical simulation}, url = {https://ijcce.ac.ir/article_36136.html}, eprint = {https://ijcce.ac.ir/article_36136_d0699fe603913b293f6689af462c1904.pdf} } @article { author = {Munir, Shamsa and Khan, Bushra and Abdullah, Aqsa and Khan, Sania and Naz, Savera and Wali, Qamar and Tabbasam, Nabila}, title = {Computational Investigations of a Novel Charge Transfer Complex for Potential Application in Dye-Sensitized Solar Cells}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {19-27}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36134}, abstract = {The computational study of a novel charge-transfer complex as a photoactive blend for potential application in dye-sensitized solar cells was carried out using the semi-empirical method. The adsorption of two natural dyes, 1S,3R,4R,5R-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexane carboxylic acid (DHTH) and 2-Phenyl-4H-chromen-4-one (PCO) was achieved independently on to 1×1×1 TiO2 crystal to form TiO2-DHTH and TiO2-PCO adsorption complexes. Semiempirical calculations were performed on the optimized molecules, as well as on the adsorption complexes, to obtain the total energies and EHOMO/ELUMO values, manifesting a flow of electrons from DHTH/PCO to TiO2. The theoretical electronic absorption spectra calculated via ZINDO/s method revealed a large bathochromic shift to 810 nm and 526 nm for TiO2-DHTH and TiO2-PCO, respectively, indicating the formation of a charge-transfer complex. Subsequently, the co-adsorption of PCO and DHTH on TiO2 was accomplished with the aim to minimize the possible charge recombination in the photoactive blend. The semiempirical PM3 calculations evidenced the high stability of the co-adsorption complex, TiO2-PCO-DHTH, with the total energy of -200678.578 kcal/mol. The positions of HOMO and LUMO orbitals as obtained from single-point energy calculations, coincided accurately with our proposition of electron flow in a cascade manner from DHTH to PCO and finally to TiO2. The theoretical electronic absorption spectrum ofTiO2-PCO-DHTH evinced absorption range of 351.8-800 nm demonstrating the high potential of TiO2-PCO-DHTH to be used as a photoactive blend for solar cells.}, keywords = {Computational study,Co-adsorption,Charge transfer complex,Dye-sensitized solar cells}, url = {https://ijcce.ac.ir/article_36134.html}, eprint = {https://ijcce.ac.ir/article_36134_f81282ed104c053b1845d969dee4635d.pdf} } @article { author = {Myneni, Venkata and Kanidarapu, Nagamalleswara and Vangalapati, Meena}, title = {Methylene Blue Adsorption by Magnesium Oxide Nanoparticles Immobilized with Chitosan (CS-MgONP): Response Surface Methodology, Isotherm, Kinetics and Thermodynamic Studies}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {29-42}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36342}, abstract = {In this research, a chitosan-immobilized magnesium oxide nanoparticle (CS-MgONP) was synthesized to evaluate it as a prospective adsorbent for a cationic Methylene Blue (MB) dye. For the synthesized adsorbent, functional groups were analyzed through Fourier transform InfraRed (FT-IR) spectroscopy. X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) were used to identify the structural and morphological observations. The evaluation of process parameters such as pH (5-9), CS-MgONP dosage (0.2-0.6g/L), initial MB concentration (10-30mg/L), and temperature (283-323K) on MB adsorption was done at an equilibrium agitation time of 70 min using Central Composite Design (CCD) of Response Surface Methodology (RSM). MB removal percentage of 94.51% (desirability=0.829) was obtained under the optimal conditions of pH=7.28, dosage=0.47g/L, initial MB concentration= 19.37mg/L and temperature =309.76K. The adsorption onto CS-MgONP fits well with pseudo-second-order kinetics equation and equilibrium data made the best fit with Langmuir isotherm with maximum MB uptake capacity of 163.87mg/g.}, keywords = {Magnesium oxide nanoparticles,Chitosan,Dyes, Nano-adsorbents,Kinetics,equilibrium}, url = {https://ijcce.ac.ir/article_36342.html}, eprint = {https://ijcce.ac.ir/article_36342_96cb6c5c339a4eedc18c8fceabf3b914.pdf} } @article { author = {Kazemi, Masoud and Zarandi, Maryam and Zand Monfared, Mohammad Reza}, title = {Preparation of Permanent Red 24 Nanoparticle by Oil in Water Microemulsion}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {43-49}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2020.76135.2845}, abstract = {Permanent red 24 (1-(2,4-Dinitro-phenylazo)-naphthalen-2-ol) is a family member of azo dyes. Azo dyes have so many industrial applications. In this study, permanent red 24 nano pigments were prepared by microemulsion as a novel method. The effects of different experimental parameters for nano pigment preparation were studied. The investigated parameter include surfactant nature, solvent, surfactant, cosurfactant, and pigment percentage in microemulsion formulation. Optimal formulation determined for nano pigment preparation. Performing the process under the optimal formulation leads to the production of nano pigment with an average size of about 85 nm. The nano pigment was characterized by Transmission Electron Microscopy (TEM) and Dynamic Light Scattering (DLS). The DLS measurements confirm TEM analysis.}, keywords = {Permanent red 24,Microemulsion, Nanoparticle,Organic,surfactant}, url = {https://ijcce.ac.ir/article_43519.html}, eprint = {https://ijcce.ac.ir/article_43519_b5a57022a411685c3cf572a813ed3a45.pdf} } @article { author = {Gharibzadeh, Fatehmeh and Vessally, Esmail and Edjlali, Ladan and Es haghi, Musa and Mohammadi, Robab}, title = {A DFT Study on Sumanene, Corannulene, and Nanosheet as the Anodes in Li−Ion Batteries}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {51-62}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2020.106867.3568}, abstract = {Herein, we studied interactions between the Li neutral atom and Li+ ion and three types of nanoparticles including sumanene (Sum), corannulene (Cor), and nanosheet to obtain the cell voltage (V) for Li−ion batteries (LIBs). Total energies, geometry optimizations, Frontier Molecular Orbital (FMO), and Density of States (DOS) analyses have been obtained using M06−2X level of theory and 6−31+G (d,p) basis set. DFT calculations clarified that the changes of energy adsorption between Li+ ion and nanoparticles, Ead,are in the order: Sheet > Sum−I > Cor > Cor−I > Sum. However, the Vcell for Sum is the highest. The changes in Vcell of Li−ion batteries (LIBs) are in the order: Sum > Sheet > Sum−i > Cor > Cor−i.This study theoretically indicates the possibility of Li as the anode in the battery field.}, keywords = {DFT study,Sumanene,Corannulene,Nanosheet,Li−ion Batteries}, url = {https://ijcce.ac.ir/article_43520.html}, eprint = {https://ijcce.ac.ir/article_43520_8f267729ce326f0208add28c66a47687.pdf} } @article { author = {Kassaee, Mohamad Zaman and Khorshidvand, Neda}, title = {Study of Electronic Effects on Normal vs. Abnormal Tetrazol-5-ylidenes at DFT}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {63-74}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2018.32000}, abstract = {We present electronic effects on stability (ΔES-T), nucleophilicity (N), global electrophilicity (ω), and band gaps (ΔEHOMO-LUMO) of 36 novel 1,4- and 1,3-tetrazole-5-ylidenes, 1 and 2, respectively. A union of three sets of "normal" 1W,W, 1D,D, and 1D,W are compared to another union of four sets of "abnormal" 2W,W, 2D,D, 2D,W and 2W,D NHCs, electron-withdrawing substituents (W) and electron-donating ones (D). Every 1 is more stable and shows a larger bandgap than its corresponding 2. In addition, philicities, N and ω, of every 2 appear larger than that of the corresponding 1 isomer. Carbenes with W groups increase electrophilicity while D ones increase nucleophilicity and in pull-push groups, W groups in carbene center increase electrophilicity. All our NHCs give doubly bonded head-to-head dimers except for 5 species.}, keywords = {tetrazolylidenes,Band gap,singlet-triplet energy gap,electronic effects}, url = {https://ijcce.ac.ir/article_32000.html}, eprint = {https://ijcce.ac.ir/article_32000_0692d2b2b65e2a27144b4b8ab97b8e0b.pdf} } @article { author = {Anbazhagan, Sivaprakasam and Thiruvengatam, Venugopal and Kulanthai, Kannan}, title = {Adaptive Neuro-Fuzzy Inference System and Artificial Neural Network Modeling for the Adsorption of Methylene Blue by Novel Adsorbent in a Fixed - Bed Column Method}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {75-93}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36407}, abstract = {A column study for the removal of Methylene Blue (MB) by the activated carbon from the leaves of Calotropis Gigantea (CGLAC) was done. The CGLAC was characterized by SEM, FT-IR, Raman, TGA/DTA EDAX, BET, and XPS. TGA/DTA studies of CGLAC showed a high fixed carbon content, which indicated that the activated carbon was highly efficient for adsorption. XPS studies confirmed the presence of the aromatic conjugated pi system, C = O and C = C as the main functional group in CGLAC. The pHpzc studies showed that CGLAC has a negative surface charge density and hence adsorption of the cationic dye would be highly efficient. In the column studies, the effect of the parameters like initial concentration (100 – 500 mg/L) of dye, bed height (1, 1.5, and 2 cm), pH (2, 6.5, and 10), flow rate (3.5, 5, and 6.5 mL), and temperature (303, 318 and 333 K) for the removal of MB were tested. Dynamic column models were tested for BTC and it was found that BDST model fitted the experimental data most. R2 for BDST model was found to be greater than 0.99 for most of the parameters studied. Other models were found to fit BTC model at certain conditions. A higher flow rate showed a better fit towards the Thomas model with R2 value of 0.95. The highest % of removal of MB by CGLAC was found to be 86.4 % for 3.5 ml min-1flow rate, 100 mg/L concentration, and 2 cm bed height. ANN and ANFIS predictive models were applied to the study and both the models were found to give good results. ANFIS model showed the highest R2 value for validation data compared to ANN and hence ANFIS could be applied to the prediction of adsorption compared to ANN for the column studies.}, keywords = {CGLAC,fixed-bed column model,BDST,BTC,Artificial neural network,Adaptive - Fuzzy Network}, url = {https://ijcce.ac.ir/article_36407.html}, eprint = {https://ijcce.ac.ir/article_36407_f3a423c526fef177868d51dcfdfb72d5.pdf} } @article { author = {Dbik, Abdellah and Bentahar, Safae and El Messaoudi, Noureddine and El khomri, Mohammed and Lacherai, Abdellah}, title = {Removal of Methylene Blue from Aqueous Solution by Tunics of the Corm of the Saffron}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {95-104}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2020.106169.3544}, abstract = {Removal of Methylene Blue (MB) from aqueous solutions was investigated using low-cost, natural, and eco-friendly biosorbent, Tunics of the Corm of the Saffron (TCS). The effect of various parameters including pH, contact time, adsorbent dose, initial dye concentration, and temperature on the adsorption was studied. TCS was characterized using SEM, TGA, and DTA. The adsorbent surface functional groups were identified with Fourier Transform InfraRed (FT-IR)spectroscopy. pHpzc of TCS was determined (5.8). The adsorption data of MB ontoTCS followed the Langmuir isotherm with a biosorption capacity of 137mg/g. The kinetic data were evaluated using pseudo-first-order and pseudo-second-order model equations and the data were fitted well with the pseudo-second-order kinetic model (R2>0.99). Thermodynamic parameters revealed that the adsorption process was feasible, spontaneous, and exothermic (∆H<0). The findings of the present study indicated that TCS can be successfully used for the removal of MB from an aqueous solution.}, keywords = {Tunics of saffron corm,Adsorption,Isotherm,kinetic,thermodynamic}, url = {https://ijcce.ac.ir/article_43521.html}, eprint = {https://ijcce.ac.ir/article_43521_44b13c8c00f0391cdb1f54787539faaa.pdf} } @article { author = {Shojaei, Zahra and Iravani, Effat and Moosavian, Seyed Mohammad Ali and Torab Mostaedi, Meisam}, title = {Lead Adsorption onto Surface Modified Nano Titania: Kinetic and Thermodynamic Studies}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {105-119}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36577}, abstract = {The present work focused on the adsorption of Pb(II) from aqueous solutions by amino-functionalized nano titania in a batch system. Surface modification was based on immobilization of o-phosphoethanolamine on the surface. The effects of pH, adsorbent dose, contact time, initial metal concentration, and temperature on the adsorption process were examined. The maximum adsorption of Pb(II) was observed to occur at pH 6.0. Kinetic data showed that the adsorption process achieved equilibrium within 90 min and experimental data were fitted well by the pseudo-second-order model. According to the equilibrium data, Pb(II) adsorption was well described by the Langmuir isotherm model. According to the evaluated thermodynamic parameters at different temperatures, the adsorption was a spontaneous ( ) and endothermic ( ) process. The presence of Mg and Ca ions as interfering cations up to 150 mg/g caused no considerable lowering effect on the Pb(II) adsorption. In addition, the regeneration of the adsorbent was performed using HNO3 (0.1 mol/L). The obtained studies showed that amino-functionalized nano titania was successfully used as an efficient adsorbent for removal of the Pb(II) from aqueous solutions.}, keywords = {Functionalization,nano titania,o-phosphoethanolamin,Pb(II)}, url = {https://ijcce.ac.ir/article_36577.html}, eprint = {https://ijcce.ac.ir/article_36577_de574ffc6405e2d07cd4520ac78b51ed.pdf} } @article { author = {Issabayeva, Gulnaziya and Yap, Nicholas Junmin and Ajeel, Mohammed and Hussin, Farihahusnah and Aroua, Mohamed Kheireddine}, title = {Removal of Zinc from Wastewater through the Reduction Potential Determination and Electrodeposition Using Adsorption-Desorption Solutions}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {121-130}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2020.107851.3586}, abstract = {The rubber product manufacturing industry generates large volumes of wastewater containing on average 10 ppm of zinc. Presently, zinc is removed via a chemical precipitation process generating hazardous precipitate that requires secure disposal. This study evaluated the removal of zinc through adsorption on Palm Shell Activated Carbon (PSAC) and subsequent desorption in hydrochloric, nitric (0.1 and 0.2 M), and citric (0.2 and 0.5 M) acids to produce solutions for the electrodeposition of zinc to achieve the permissible discharge level of 2 ppm.  The highest desorption efficiency was achieved using HCl. Cyclic Voltammetry (CV) was applied to determine the reduction potential of zinc in desorption solutions. The presence of KCL and a buffer solution improved the electrodeposition of zinc. The chloride-based solution showed the best electroreduction behavior of zinc with a well-defined reduction peak as compared to the nitrate and citrate-based solutions, with a wider reduction peak and no peak, respectively. The chloride-based solution, selected for theelectrodeposition experiments, showed 64 % reduction in zinc concentration within 10 min. The prolonged to 30 min electrodeposition resulted in only 7 % of further increment. Overall, the obtained results confirm the feasibility of zinc removal through the electrodeposition from the adsorption-desorption solution, which provides an effective alternative to the currently industrially used chemical precipitation method.}, keywords = {Zinc,CV,Adsorption,Desorption,Palm Shell Activated Carbon,Wastewater}, url = {https://ijcce.ac.ir/article_43522.html}, eprint = {https://ijcce.ac.ir/article_43522_4b54548625a5bf96dff91f88190d2c83.pdf} } @article { author = {Amooey, Ali Akbar}, title = {A New Film Diffusion Controlling Kinetic Model for Adsorption at the Solid/Solution Interface}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {131-136}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36715}, abstract = {A convenient adsorption kinetic equation has been offered for the modeling of adsorption kinetics in batch systems when diffusion taking parts to the rate-controlling step of adsorption. This model is suggested based on the Smoluchowski-Waite equation for diffusion-controlled second-order reactions. The proposed new model has better performance (lower absolute values of the relative errors (AARE) %) with respect to the pseudo-second-order. Results of this equation are in agreement with experiment data especially at the initial times of adsorption that diffusion contributes to the rate-controlling step of adsorption.}, keywords = {Adsorption,Kinetics,Film diffusion}, url = {https://ijcce.ac.ir/article_36715.html}, eprint = {https://ijcce.ac.ir/article_36715_8baa656e6301394a3873fa8968405e54.pdf} } @article { author = {Kenza, Akhrib and Bensmaili, Aicha and Bouafia-Chergui, Souad and Kadmi, Yassine}, title = {New Activated Carbon from Wormwood as Efficient Adsorbent of Cationic Dye in Aqueous Solution}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {137-148}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36341}, abstract = {This investigation deals with the potential use of new activated carbon as an adsorbent. This later was prepared from wormwood residues consisting of Artemisia vulgaris pharmaceutic plant by-product. This carbon was characterized using a Scanning Electron Microscopy(SEM) and Fourier Transform InfraRed (FT-IR) techniques before and after treatment with phosphoric acid. Batch adsorption experiments were conducted to study the adsorbent effectiveness in removing a cationic dye, basic yellow 28, from an aqueous solution. The effects of adsorbent dosage, dye concentration, and initial pH on the elimination of the dye were analyzed. The results show that the equilibrium data were correctly represented using the Langmuir adsorption isotherm. The adsorption capacity of activated carbon toward the cationic dye was 357.14 mg/g obtained at 20°C. The kinetic study indicates that the adsorption process of dye on activated carbon follows a pseudo-second-order equation. The efficiency of this process was tested for real effluent; the adsorbent was able to reduce the concentration of total organic carbon.}, keywords = {Adsorption,Activated Carbon,Isotherm,elimination,environment}, url = {https://ijcce.ac.ir/article_36341.html}, eprint = {https://ijcce.ac.ir/article_36341_6268fc5087f17b931fd8529f06fe5b8e.pdf} } @article { author = {Akbari, Azam and Fakhri, Hanieh}, title = {Three Novel Sets of Cs2H[PW4Mo8O40] Based on Various Supports: insight Into Comparative Evaluation in Oxidative Desulfurization}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {149-161}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36376}, abstract = {Three novel heterogeneous catalysts were prepared by immobilization of a synthesized cesium salt of 4-tungsto-8-molybdophosphoric acid (abbreviated as CW4Mo8) on well prepared and modified support materials of UiO-66, microsphere SBA-15 and Graphene Oxide (GO). The aim of this work was the investigation of the support effects on the Oxidative DeSulfurization (ODS) performance under a similar condition. These catalysts were characterized using FTIR, XRD, BET, BJH, N2 adsorption-desorption, SEM, and EDX methods. The Cs modification was performed to have an insoluble CW4Mo8 on the support materials. The Keggin structure of the synthesized CW4Mo8 and well immobilization on the supports were confirmed by the characterization results. A comparative examination was performed on the capability of these nanocomposites as catalyst-adsorbent in the ODS process. Dibenzothiophene (DBT) in n-hexane was used as an oil model. The examination results indicated the special impact of the support type on the catalyst design; High surface area and porosity, and functional group type significantly affected the efficiency of DBT oxidation and adsorption of DBTO2 from fuel by these catalysts. The maximum removal of 100 and 99% of DBT was achieved using CW4Mo8 supported on mesoporous SBA-15 (after 60 min) and UiO-66 (after 120 min) respectively. Furthermore, the best catalyst could be reused four times without a remarkable decrease in activity.}, keywords = {Oxidative desulfurization,Heteropoly acids,Dibenzothiophene,UiO-66,SBA-15,Graphene oxide,Porous materials}, url = {https://ijcce.ac.ir/article_36376.html}, eprint = {https://ijcce.ac.ir/article_36376_393a15aa009710360b08ea225d765b9e.pdf} } @article { author = {Kamari, Ehsan and Hajizadeh, Ali Asghar and Kamali, Mohammad Reza}, title = {Experimental Investigation and Estimation of Light Hydrocarbons Gas-Liquid Equilibrium Ratio in Gas Condensate Reservoirs through Artificial Neural Networks}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {163-172}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36496}, abstract = {Equilibrium ratios for the mixture of different components are very important for many engineering application processes. Different numerical methods were explored and applied to ensure efficient estimation of gas-liquid equilibrium ratio. In this paper, the Artificial Neural Network (ANN) approach along with data of experiments performed on 25 gas condensate reservoirs has been utilized to obtain a relationship of gas-liquid equilibrium ratios in gas condensate reservoirs. The relationship between the gas-liquid equilibrium ratio and parameters of components of a mixture (critical temperature, critical pressure, and acentric factor) has been derived. Finally, the results of ANN have been compared to the proposed correlations in the literature and results of the equation of state. This investigation demonstrated that the result of ANN is more precise than the equation of state and existing empirical correlations. Whereas comparison between experimental data of 3 gas condensate samples by ANN, EOS, and existing empirical correlation show that the average absolute error for ANN was between 7.82 to 13.74% and for others was between 29.99 to 94.99%.}, keywords = {Gas Condensate Reservoirs,experimental,Equilibrium Ratio,Artificial neural networks,EOS}, url = {https://ijcce.ac.ir/article_36496.html}, eprint = {https://ijcce.ac.ir/article_36496_8d42c11f12c6ff9de081bb669738b867.pdf} } @article { author = {Özmen, Dilek and Bekri, Sezin}, title = {Phase Diagrams for the Aqueous Solutions of Carboxylic Acid with Dipropyl Ether: Experimental and Correlated Data}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {173-183}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36137}, abstract = {In this research, liquid-liquid equilibrium (LLE) data were experimentally obtained for the ternary systems of (water + carboxylic acid + dipropyl ether) at T = 298.2 K and P = 101.3 kPa. The carboxylic acids used in this study were isobutyric acid, valeric acid, and isovaleric acid. All these systems are according to Treybal classification, Type-2 systems because the two binary subsystems are partially miscible. The lowest distribution coefficients and separation factors were calculated for isobutyric acid (40 and 329, respectively). The authenticity of the experimental equilibrium data was identified from Hand and Othmer-Tobias correlations.  The experimental tie-line data were correlated by using the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models. RMSD values are between 0.0112 and 0.0155 for NRTL model and are between 0.0083 and 0.0153 for UNIQUAC model.}, keywords = {liquid-liquid equilibrium,Carboxylic acid,dipropyl ether,NRTL,UNIQUAC}, url = {https://ijcce.ac.ir/article_36137.html}, eprint = {https://ijcce.ac.ir/article_36137_d28a60d3452f25aac6b0bb9bd9468e61.pdf} } @article { author = {Pirdashti, Mohsen and Taheri, Mojtaba and Dragoi, Elena-Niculina and Curteanu, Silvia}, title = {Machine Learning Approaches for Prediction of Phase Equilibria in Poly (Ethylene Glycol) + Sodium Phosphate Aqueous Two-Phase Systems}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {185-197}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.37002}, abstract = {In this research, liquid-liquid equilibrium (LLE) data were experimentally obtained for the ternary systems of (water + carboxylic acid + dipropyl ether) at T = 298.2 K and P = 101.3 kPa. The carboxylic acids used in this study were isobutyric acid, valeric acid, and isovaleric acid. All these systems are according to Treybal classification, Type-2 systems because the two binary subsystems are partially miscible. The lowest distribution coefficients and separation factors were calculated for isobutyric acid (40 and 329, respectively). The authenticity of the experimental equilibrium data was identified from Hand and Othmer-Tobias correlations.  The experimental tie-line data were correlated by using the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models. RMSD values are between 0.0112 and 0.0155 for the NRTL model, and are between 0.0083 and 0.0153 for UNIQUAC model.}, keywords = {liquid-liquid equilibrium,Carboxylic acid,dipropyl ether,NRTL,UNIQUAC}, url = {https://ijcce.ac.ir/article_37002.html}, eprint = {https://ijcce.ac.ir/article_37002_6738ee81263ae8bb3d57fa348d557a49.pdf} } @article { author = {Reggab, Slimane and Merzougui, Abdelkrim and Hassiene, Abdelmalek and Qjemoui, Laiadhi and Bouredji, Hamza}, title = {Experimental Data and Modeling of Salt Effect on Liquid-Liquid Equilibrium of the Ternary (Water+1-Propanol+Hexane) System at 298K}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {199-209}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36340}, abstract = {The effect of NaCl on the LLE data for the ternary system, water + 1-propanol + hexane, were determined at 298Kunder atmospheric pressure. The curve of solubility and tie-line data of this system were determined by experimental analysis. The experimental results showed that the addition of NaCl significantly affected the two-phase region of the ternary system, the enlargement of the two-phase region occurred with an increase of salt concentration in the initial aqueous phase. Distribution coefficients and separation factors were also calculated and compared at different NaCl concentrations. In addition, the experimental tie-line data were correlated with the NRTL model. Also, the parameters of this model were estimated with five nature-inspired metaheuristic solvers. These algorithms are Genetic Algorithms (GA), Monkey- Krill Herd Hybrid (MAKHA), Intelligent Firefly Algorithm (IFA), Cuckoo Search (CS), and Harmony Search Algorithm(HAS). The capabilities and limitations of these solvers have been analyzed. Results showed that all algorithms outperformed, in particular, MAKHA give the best efficiency-reliability for the prediction of LLE.}, keywords = {Salt effect,LLE,nature-inspired algorithm,NRTL}, url = {https://ijcce.ac.ir/article_36340.html}, eprint = {https://ijcce.ac.ir/article_36340_5af64c9a3635dbf6836eb8460effd62f.pdf} } @article { author = {Supeno, Minto and Simanjuntak, Crystina and Siburian, Rikson}, title = {Facile and Benign Method to Produce Large Scale Graphene Nano Sheets}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {211-214}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36707}, abstract = {The large scale production of Graphene Nano Sheets (GNS) has fascinated many researchers. GNS was produced base on a sustainable raw material namely coconut fruit. Coconut fruit was converted directly to be GNS with ethanol assisted. Then, it was characterized by XRD and TEM. Interestingly, XRD data show the C(002) peak is broad and weak appear, indicating GNS was formed. This data is also consistent with TEM data. Therefore, the formation of GNS may definitely be affected by the immersing process of coconut fruit by ethanol. Base on this research, the large scale GNS may be produced with the facile and benign method.}, keywords = {Graphene Nano Sheets,Ethanol,Coconut Fruit}, url = {https://ijcce.ac.ir/article_36707.html}, eprint = {https://ijcce.ac.ir/article_36707_3ae2a33c215910a1375d5bbb4c3894c2.pdf} } @article { author = {Karimi, Asadollah and Mahmoudi, Elham and Fatehifar, Esmaeil and Motavalli, Ali Reza}, title = {Influence of Crude Oil Type on Products Quality of the Atmospheric Distillation Unit by Applying Material Flow Cost Accounting Simulation: Part A}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {215-227}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36239}, abstract = {The oil refining industry, as one of the most important sources of supply for the people of the world, needs to optimize energy. In the present study, the atmospheric distillation unit of a refinery has been selected as a case study. Using a new method of material flow cost, determining the positive and negative products and their actual valuation, the share of various costs in the unit has been demonstrated. Since about 99.3% of the total costs in this unit are related to the cost of purchasing crude oil as feedstock, the importance of purchasing crude oil in the event of crisis management and the conditions of alternatives are fully characterized. Three crude oils named Maroon, Dezful, and Mansouri were studied as alternatives for Ahwaz crude oil. The results of Maroon crude oil show that, in the same operating conditions, its substitution as the main feedstock obtains the same quality products as Ahvaz crude oil products. The products derived from Dezful crude oil shows a difference of approximately 7 to 8 degrees API. Products from Mansouri crude oil have a difference of between 20°C and 40°C at boiling point and a difference of 5° to 7°API, and with increasing temperature and feed pressure, there is no significant change in the quality of the products. The mixture of Mansouri and Dezful crude oil separately with Ahwaz crude oil does not achieve the desired quality. But proper quality can be obtained by applying changes of 10 °C to 30 °C at inlet temperature, and from 0.5 to 0.7 kg/cm2 at the pressure. Due to the same price of Ahwaz and Maroon and Dezful, there is no change in the cost of purchasing, and products of the same cost are obtained.}, keywords = {refinery,Atmospheric Distillation Tower,Simulation,MFCA,Positive Products,Reduce Loss}, url = {https://ijcce.ac.ir/article_36239.html}, eprint = {https://ijcce.ac.ir/article_36239_50a663f1a4d0a188f5e2631587d17581.pdf} } @article { author = {Zandvakili, Saeid and Akhondi, Mohammad Reza and Raouf Hosseini, Seyed Mohammad}, title = {Leaching Optimization of Sarcheshmeh Copper Concentrate by Application of Taguchi Experimental Design Method}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {229-236}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36159}, abstract = {Taguchi Method is used as a statistical approach to optimize the process parameters and improve the quality of components that are produced. The present study aimed to illustrate the leaching optimization of Sarcheshmeh copper concentrate using Taguchi’s experimental design. Various operating parameters such as acid concentration (CA), temperature (T), solid percentage (%S), O2 flow rate (O2), extra oxidizing agent (OxA), NaCl concentration(CNaCl), and contact time (t), each at three levels, were selected and their effect on the copper extraction (R%) was analyzed. L27 Orthogonal Array (OA) was employed as the experimental design and the results were analyzed using analysis of variance (ANOVA) and analysis of mean (ANOM). The experiment results indicated that (T) variable was the most significant parameter with 81% contribution to the response. It is also observed that the interactions between (CA and OxA), (CA and Cox), (CA and CNaCl) had no significant effect on the copper dissolution process. Furthermore, (T), (%S), (O2), (CNaCl) and (t) parameters were found to be statistically significant at 95% confidence level for the desired response. The study showed that Taguchi’s method was suitable to optimize the experiments for increasing leaching efficiency.}, keywords = {Sarcheshmeh copper complex,Leaching,chalcopyrite,Taguchi}, url = {https://ijcce.ac.ir/article_36159.html}, eprint = {https://ijcce.ac.ir/article_36159_7b2d6556c2a32bbce5e2d0ad941b197b.pdf} } @article { author = {Bentaieb, Noureddine. and Benarima, Zine el Abidine and Belaadi, Salah}, title = {Calorimetric and Thermal Analysis Studies on the Influence of Coal on Cement Paste Hydration}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {237-244}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36706}, abstract = {Composite Portland Cement, CEMII (cement with additives of limestone, slag from blast furnaces, tuff, and pozzolan) represent a significant share of the cement manufacturing in the world. These additives can increase cement production and reduce the energy consumption in this sector, their incorporation in the milling process of the clinker allow also to obtain hydraulic blinders better homogenized and more responsive. Blended types of cement are grounded more finely than the pure cement between 3500 to 5000 cm2/g. The use of industrial waste, as well as natural products such as pozzolan and limestone as partial replacement of clinker in cement and concrete, saves energy[1.2.3], and it reduces emissions of greenhouse gas. This results in the production of concrete non-polluting and sustainable environmentally. Our work was based on the incorporation of coal as additives (CEMI)and study the effect of this addition during the hydration reaction of the cement paste of the studied samples, with a heating rate of 5°C/mn, the percentages of coal used were (10% ,20% ,30%). Previous studies showed that coal has the ability to increase the mechanical resistance of cement, this is due to the chemical composition of the coal (SiO2, Ca, Fe2O3, Mg, Na), which affects the grind ability of the cement and its reaction with water(hydration reaction). Thermal analysis allows us to evaluate the heat released by the studied cement during its hydration and to exploit the results by using various models. The degree of hydration, the rate constant, and activation energy are determined, this energy is global, as it relates to all phases of hydration reactionsof cement namely (C3S, C2S, C3A, and C4AF).}, keywords = {Cement paste,Hydration,Calorimetry,Coal}, url = {https://ijcce.ac.ir/article_36706.html}, eprint = {https://ijcce.ac.ir/article_36706_51648a40bd0acc6b7baac2cbb27ffb73.pdf} } @article { author = {Wang, Xiao and Xue, Yongbing and Wang, Yingchun and Liu, Xianjun}, title = {Study on the Effect of Small Molecule Compounds on the Structure and Properties of Coal}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {245-249}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36502}, abstract = {In this research, small molecular compounds are extracted from Shenfu coal using solvent extraction method, then through analysis and comparison, the structure and properties of coal before and after extraction of coal in order to study small molecular compounds affect the structure and properties of coal. The results show that they have been affected to varying degrees and the core of the coal structural unit aromatic ring has not been reduced, the macromolecular structure of coal has not changed after the extraction of coal. And these studies surely help to study the reaction mechanism of coal liquefaction and guide the study of coal macromolecular.}, keywords = {small molecule compounds,the structure,the properties,Solvent extraction,Coal}, url = {https://ijcce.ac.ir/article_36502.html}, eprint = {https://ijcce.ac.ir/article_36502_21c6a10e0617b8d2eb21be0d59d44ab7.pdf} } @article { author = {Sadeghi, Nasim and Jamshidi, Abdollah and Seyyedin, Mohammad}, title = {Detection of Mycobacterium avium Sub sp. paratuberculosis in Pasteurized Milk Samples in Northeast of Iran by Culture, Direct Nested PCR and PCR Methods}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {251-258}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36497}, abstract = {Mycobacterium avium Subsp. paratuberculosis (MAP) is a gram-positive, small, acid-fast bacillus with high environmental resistance. In animals, especially ruminants, it leads to Paratuberculosis (PTB) or Johne's disease, which is chronic granulomatous enteritis. This bacterium as the main causative agent of Crohn's disease can be a serious threat to human health. This study aimed to detect MAP in pasteurized milk samples produced in Khorasan Razavi province, Iran, using Direct Nested PCR, PCR, and culture methods. In this study, 544 milk samples from Pasteurized Milk Production Companies were selected randomly during the 3-month period. DNA was extracted from milk fat after centrifugation. In order to identify the bacteria, Direct Nested PCR and PCR tests were applied using IS900 and f57, respectively. Furthermore, to detect viable MAP, positive samples resulted from Direct Nested PCR assays were cultured on Herrold's egg medium. For identification of mycobacterial isolates, all colonies were processed by PCR based on f57. A total of 544 pasteurized milk samples were assayed, and Mycobacterium paratuberculosis was detected in 39% of them by IS900 Nested PCR, and only 4.9% of samples were positive in the culture method. All the colonies were positive for the f57using PCR. The results of this study indirectly indicated a high level of contamination of pasteurized milk to Mycobacterium paratuberculosis which is due to the large number of affected animals in livestock farms in Khorasan Razavi province. However, in comparison with the other researches, the low percentage of viable bacteria in pasteurized milk can be due to changes in temperature and time in pasteurizing systems of milk production companies in Khorasan Razavi province, Northeast of Iran.}, keywords = {Mycobacterium avium,Paratuberculosis,IS900,Nested PCR,f57}, url = {https://ijcce.ac.ir/article_36497.html}, eprint = {https://ijcce.ac.ir/article_36497_ce414413e54ef5872d14175ee86737c7.pdf} } @article { author = {Rezazadeh Mofradnia, Soheil and Ashouri, Reihaneh and Abtahi, Najmeh and Yazdian, Fatemeh and Rashedi, Hamid and Sheikhpour, Mojgan and Ashrafi, Fatemeh}, title = {Production and Solubility of Ectoine: Biochemical and Molecular Dynamics Simulation Studies}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {259-269}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36495}, abstract = {In this study, ectoine is produced by Streptomyces. sp IBRC-M PTCC 10615. Fermentation parameters such as flow regime, gas hold up, mass transfer coefficient, and mixing time were optimized by statistical analysis. Streptomyces. sp produced a maximal ectoine concentration of 270 mmol/kg at optimal conditions of ectoine and L-aspartic acid. Also, the amount of mass transfer, gas hold up, and mixing time were determined 0,41/s ,0.3, and 40 s, respectively. The amount of ectoine was measured by HPLC. Furthermore, Molecular Dynamics (MD) simulation was used for studying the solubility of ectoine in aqueous media. Equilibrium data such as temperature, potential energy, and volume graphs showed that the solubility of ectoine is 25%more than glycerol. Also, all the achieving graphs from the equilibrium of simulation were confirmed the appropriate structure of the system.}, keywords = {Ectoine,Streptomyces,Molecular Dynamic,Thermodynamic principles}, url = {https://ijcce.ac.ir/article_36495.html}, eprint = {https://ijcce.ac.ir/article_36495_24e42d20521cbde088285db15964347f.pdf} } @article { author = {Wijayanti, Hesti and Jelita, Rinny and Nata, Iryanti Fatyasari and Irawan, Chairul}, title = {Biofuel from Rice Husk Pyrolysis: Effect of Temperature to Pyrolysis Oil and Its Kinetic Study}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {271-279}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36138}, abstract = {e husk is counted as an agricultural waste that results in environmental problems during its handling. In this work, rice husk was used as raw material for producing liquid biofuel (pyrolysis oil) via pyrolysis. The pyrolysis reaction was carried out at temperatures of 450, 500, and 550°C for 1 hour. The pyrolysis oil was collected and weighted for every 10 minutes. The results showed that the increase in pyrolysis temperature caused the yield of pyrolysis oil to increase. The properties in the term of heating value also increased while viscosity and density of pyrolysis oil decreased.  These properties were almost similar to diesel oil with a slightly lower heating value. The proposed model using the single reaction model and two stages model were fit to represent the mechanism of rice husk pyrolysis reaction in this study. However, the results of two stages model gave a lower error than those of the single reaction model. Furthermore, the rate of pyrolysis reaction at various temperatures could be determined using the kinetic data obtained from the developed model. This information would be useful for designing the pyrolysis reactor especially for producing biofuel (pyrolysis oil) from the rice husk.}, keywords = {Rice husk,Pyrolysis,Pyrolysis oil,Temperature,Kinetics}, url = {https://ijcce.ac.ir/article_36138.html}, eprint = {https://ijcce.ac.ir/article_36138_419e56050f71a6bb501b9fe4b7989fe2.pdf} } @article { author = {Saddique, Haris and Aasim, Muhammad and Nawab, Said and Bibi, Noor Shad and Muhammad, Noor and Qasim, Muhammad}, title = {Aqueous Two-Phase Systems for the Isolation and Partial Purification of Lipases from Soil Bacteria}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {281-292}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36708}, abstract = {Aqueous Two-Phase System (ATPS) is an effective, simple, and single-step technique used for the partial purification of biological molecules. The aim of the study was to develop ATPS technique for the isolation and partial purification of lipases. ATPS composed of polyethylene glycol and ammonium sulfate was used in this study to partially purify lipase from the fermentation broth of a Bacillus strain isolated from local soil. The effect of different percent compositions of PEG 4000, 6000, and 10,000 along with 6.60%, 7.26%, 7.92%, and 8.26% ammonium sulfate was studied on the separation behavior of lipase. The optimal condition for the isolation and partial purification of lipases from soil bacterial was 12.5 % of PEG 10,000 with 7.92% ammonium sulfate. The recovery of lipase was 78.3% in the top phase (rich in PEG).}, keywords = {Aqueous two-phase system,Polyethylene glycol,ammonium sulfate,Lipases}, url = {https://ijcce.ac.ir/article_36708.html}, eprint = {https://ijcce.ac.ir/article_36708_ca05d84a856e31292654c2f7fe033542.pdf} } @article { author = {Wieczorek, Daria and Gwiazdowski, Romuald and Danielewicz, Beata and Bednarek-Bartsch, Amelia}, title = {The Effect of Sulfobetaine on the Activity of Strobilurins and Benzimidazole Fungicides}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {293-301}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2019.36504}, abstract = {Surfactants (adjuvants) are the substances often added to the spray tank, besides the pesticide formulation, whose role is to improve the performance of the pesticide or the physical properties of the spray mixture, or both. Adjuvants are not often used as fungicides themselves, however, it is interesting to investigate if they can improve the fungistatic activity of the system they are included in. Therefore the main aim of this work was to determine the effect of the addition of a newly obtained, never investigated before, sulfobetaine type surfactant to the fungicides on their final properties. In the in vitro experiment fungistatic activity of the surfactant and the system of surfactant with strobilurins and benzimidazole fungicides were evaluated. The tested surfactants were added to the liquid medium of Potato Dextrose Agar (PDA) at concentrations: 1, 10, 50, and 100 ppm. The organisms of Fusarium culmorum, Rhizoctonia solani, Microdochium nivale, and Alternaria brassicas were used as indicators. The experiments have shown that the addition of the new surfactant studied to the medium resulted in inhibition of mycelium growth of all the tested fungi. The system with the surfactant and the fungicide was much more effective against the tested fungi than individual fungicides.}, keywords = {sulfobetaine,fungistatic activity,strobilurins,benzimidazole fungicides}, url = {https://ijcce.ac.ir/article_36504.html}, eprint = {https://ijcce.ac.ir/article_36504_bf4a7ed4549768f5c6874ef4f7d83c6f.pdf} } @article { author = {Sadeghi, Abbas and Jabbari Gharabagh, Mousa and Rezaeian, Mohsen and Alidoosti, Ali and Eskandari, Davood}, title = {Fire and Explosion Risk Assessment in a Combined Cycle Power Plant}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {39}, number = {6}, pages = {303-311}, year = {2020}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.2020.81321.2972}, abstract = {Fire and explosion are the most prevalent accidents in chemical and process industries. Hence, identification of the hazard factors and the methods of controlling these two major accidents are very important in the process industries. In this paper, fire and explosion hazards of some process units at a combined cycle power plant have been estimated using the Dow fire and explosion index. The results of this study show that methane fueled turbine has the highest value of Dow index which is 321, turbine unit with gas oil and gas oil storage site have the Dow index values of 147.5 and 35.5 respectively. The loss control credit factor for methane fueled turbine unit was 0.36 and the Actual Maximum Probable Property Damage was 4.12 US million dollars. Maximum Probable Days Outage is estimated to be 50 days and finally, the loss due to unit pauses is calculated to be 3.03 US million dollars. In addition, the findings of the current study show that the gas oil storage unit suffers the highest amount of loss due to business interruption. The findings of the present study can be used for the improvement of inherent safety and can also be applied to estimate the losses due to fire and explosion.}, keywords = {Risk Assessment,fire,explosion,Dow F&EI,Combined Cycle Power Plant}, url = {https://ijcce.ac.ir/article_44401.html}, eprint = {https://ijcce.ac.ir/article_44401_ea912d3953b1abcbec0617922bc55f5a.pdf} }