Semnan University PressApplied Chemistry Today2981-243782820131122Hydrogen production by photocatalytic water splittingHydrogen production by photocatalytic water splitting91864610.22075/chem.2017.646FAMoonesHakamizadehShahraraAfsharAzadehTadjarodiMajidHshemianzadehMohammad RezaFadaieBabakBozorgiJournal Article20170115 The photocatalytic water splitting using photon and a semiconductor is a new method for hydrogen production. In this research, photocatalytic hydrogen production using Pt(0.75wt)/TiO2 photocatalyst has been studied. This nanoparticle was synthesized using sol-gel method. Photochemical deposition method was used for Pt loading. The effect of Pt as a co-catalyst and methanol as a sacrificial agent were investigated. This nanophotocatalyst was characterized using XRD, DRS, BET and ICP methods. The results show that Pt and methanol have positive effect on hydrogen production. Using this nano photocatalyst , the rate of hydrogen production is 87 mL (h g catal.)-1 in the first 3h of irradiation that is about 43 times more than that of the P25 photocatalyst. The photocatalytic water splitting using photon and a semiconductor is a new method for hydrogen production. In this research, photocatalytic hydrogen production using Pt(0.75wt)/TiO2 photocatalyst has been studied. This nanoparticle was synthesized using sol-gel method. Photochemical deposition method was used for Pt loading. The effect of Pt as a co-catalyst and methanol as a sacrificial agent were investigated. This nanophotocatalyst was characterized using XRD, DRS, BET and ICP methods. The results show that Pt and methanol have positive effect on hydrogen production. Using this nano photocatalyst , the rate of hydrogen production is 87 mL (h g catal.)-1 in the first 3h of irradiation that is about 43 times more than that of the P25 photocatalyst.https://chemistry.semnan.ac.ir/article_646_78691537a08430462dca05b8c16993de.pdfSemnan University PressApplied Chemistry Today2981-243782820131122Quntitative structure activity relationship (QSAR) of UV-visible spectrum of some different chalkonsQuntitative structure activity relationship (QSAR) of UV-visible spectrum of some different chalkons192564710.22075/chem.2017.647FASalmanRahmaniAliAmoozadeh0000-0002-9405-2412Journal Article20170115 The UV-visible spectrum of some different chalkons with both electron with-drawing and electron-donating groups have been investigated. The results showed that electron with-drawing groups cause Blue-Shift and electron-donating groups cause Red-Shift. Fortunately there is a direct relation between the force of electron with-drawing groups and blue shift values, also for electron-donating groups and corresponding red shift. The UV-visible spectrum of some different chalkons with both electron with-drawing and electron-donating groups have been investigated. The results showed that electron with-drawing groups cause Blue-Shift and electron-donating groups cause Red-Shift. Fortunately there is a direct relation between the force of electron with-drawing groups and blue shift values, also for electron-donating groups and corresponding red shift.https://chemistry.semnan.ac.ir/article_647_6bda10cac0a41357561b10e7d6a72866.pdfSemnan University PressApplied Chemistry Today2981-243782820131122Common method for synthesis bisphenols containing Cardo group and their polyesters with high yieldCommon method for synthesis bisphenols containing Cardo group and their polyesters with high yield253264810.22075/chem.2017.648FAEhsanFathollahiHosseinMighaniMousaGhaemyJournal Article20170115 In this paper two methods were used for the preparation of bis phenols with cardo-group and their polyesters. In comparison with other methods, a suitable method has been proposed for the preparation of these bis phenol s with higher yield and purity and also synthesis of their polymers. To achieve this goal, the 1, 1-bis (4-hydroxyphenyl) cyclohexan was used. In the first method, phenol with cyclohexanone in condensation reaction in the presence of 2 - mercapto propionic acid (the first time ) and hydrochloric/acetic acid used. First method gave higher efficiency in comparison to the second method, phenol with cyclohexanone in reflux situation in the presence of hydrochloric/acetic acid was used. Following the identification of bisphenol as a base monomer reacted with terephthaloyl dichloride as new method, solution and the phase transition polymerization. Compounds were identified by IR, NMR, CHNS and polymers were obtained by TGA test. In this paper two methods were used for the preparation of bis phenols with cardo-group and their polyesters. In comparison with other methods, a suitable method has been proposed for the preparation of these bis phenol s with higher yield and purity and also synthesis of their polymers. To achieve this goal, the 1, 1-bis (4-hydroxyphenyl) cyclohexan was used. In the first method, phenol with cyclohexanone in condensation reaction in the presence of 2 - mercapto propionic acid (the first time ) and hydrochloric/acetic acid used. First method gave higher efficiency in comparison to the second method, phenol with cyclohexanone in reflux situation in the presence of hydrochloric/acetic acid was used. Following the identification of bisphenol as a base monomer reacted with terephthaloyl dichloride as new method, solution and the phase transition polymerization. Compounds were identified by IR, NMR, CHNS and polymers were obtained by TGA test.https://chemistry.semnan.ac.ir/article_648_09584b85aad7d4348d1eaf3f09e324e9.pdfSemnan University PressApplied Chemistry Today2981-243782820131122Extraction of Cherryâs Anthocyanin using Amberlite XAD-7 ResinExtraction of Cherryâs Anthocyanin using Amberlite XAD-7 Resin334164910.22075/chem.2017.649FAMansourJahangiriKhosroRostamiHossainSabetifardMobinaAlimohammadyJournal Article20170115Anthocyanin is known as natural pigments of fruits. These pigments are among the best natural pigments to be used in food industry. In this study, the method for extraction of cherryâs pigment (Anthocyanin) using an Amberlite XAD-7 resin is discussed. Amberlite XAD-7 has got an excellent condition for extraction of Anthocyanin due to its lack of charged groups and great porosity. After completion of adsorption process of Anthocyanin on Amberlite resin, desorption process was performed by acidic methanol which was able to extract about 90 percent of Anthocyanin compounds. Furthermore, Langmuir and Freundlich isotherms were applied for explanation of Anthocyanin adsorption which finally indicated that Langmuir model has a better consistencyAnthocyanin is known as natural pigments of fruits. These pigments are among the best natural pigments to be used in food industry. In this study, the method for extraction of cherryâs pigment (Anthocyanin) using an Amberlite XAD-7 resin is discussed. Amberlite XAD-7 has got an excellent condition for extraction of Anthocyanin due to its lack of charged groups and great porosity. After completion of adsorption process of Anthocyanin on Amberlite resin, desorption process was performed by acidic methanol which was able to extract about 90 percent of Anthocyanin compounds. Furthermore, Langmuir and Freundlich isotherms were applied for explanation of Anthocyanin adsorption which finally indicated that Langmuir model has a better consistencyhttps://chemistry.semnan.ac.ir/article_649_51824c945c4666d7ae874a56585c8b0f.pdfSemnan University PressApplied Chemistry Today2981-243782820131122TEA/MOR Mixed Template Synthesis of Nanostructured SAPO-34 Molecular Sieve with Various Ratios Used in Conversion of Methanol to Ethylene and PropyleneTEA/MOR Mixed Template Synthesis of Nanostructured SAPO-34 Molecular Sieve with Various Ratios Used in Conversion of Methanol to Ethylene and Propylene415665010.22075/chem.2017.650FATayebehSouriMohammadHaghighiSogandAghamohammadiJournal Article20170115 The nanostructured silicoaluminophosphate, SAPO-34, was reported to be the most promising catalyst. It is well-recognized that template plays important roles in the synthesis of molecular sieves. In this research, TEA and morpholine mixtures as organic templates were employed in synthesis of nanostructured SAPO-34 molecular sieve. To correlate the modification of the catalysts features with their performances in MTO reaction, characterizations by XRD, FESEM, PSD, BET, EDX and FTIR techniques were performed. Physiochemical properties of the catalyst were affected by the type of the used templates. The catalyst synthesized with 75% TEA and 25% morpholine showed rhombohedral shape of typical SAPO-34 and also hexagonal type crystal which is typical SAPO-5 morphology. XRD patterns afforded additional support for the obtained results from FESEM images showed diffraction peaks of both SAPO-5 and SAPO-34. Performance tests were carried out to investigate the influence of different temperatures on the catalyst activity in a range of 300-500ºC. The catalysts prepared with morpholine and TEA mixtures showed relatively the same product distribution with regard to light olefins selectivity in the MTO reaction The nanostructured silicoaluminophosphate, SAPO-34, was reported to be the most promising catalyst. It is well-recognized that template plays important roles in the synthesis of molecular sieves. In this research, TEA and morpholine mixtures as organic templates were employed in synthesis of nanostructured SAPO-34 molecular sieve. To correlate the modification of the catalysts features with their performances in MTO reaction, characterizations by XRD, FESEM, PSD, BET, EDX and FTIR techniques were performed. Physiochemical properties of the catalyst were affected by the type of the used templates. The catalyst synthesized with 75% TEA and 25% morpholine showed rhombohedral shape of typical SAPO-34 and also hexagonal type crystal which is typical SAPO-5 morphology. XRD patterns afforded additional support for the obtained results from FESEM images showed diffraction peaks of both SAPO-5 and SAPO-34. Performance tests were carried out to investigate the influence of different temperatures on the catalyst activity in a range of 300-500ºC. The catalysts prepared with morpholine and TEA mixtures showed relatively the same product distribution with regard to light olefins selectivity in the MTO reactionhttps://chemistry.semnan.ac.ir/article_650_655b69f7ecc40f7a3fd94ec8b650e908.pdfSemnan University PressApplied Chemistry Today2981-243782820131122Theoretical studies on the geometry, hydrogen bonding and electronic properties of enaminones with ring that includes 4- hydroxyl 6- methyl 2-pyran and binuclear molybdenum complex with this compoundTheoretical studies on the geometry, hydrogen bonding and electronic properties of enaminones with ring that includes 4- hydroxyl 6- methyl 2-pyran and binuclear molybdenum complex with this compound576865110.22075/chem.2017.651FAMahboobehMohaddeszadehHasanAliZamanBehzadPadidaran MoghaddamJournal Article20170115       Theoretical studies on the geometrical parameters, hydrogen bonding and electronic properties of enamine ligand containing pyran cycle [C19H19O7N] and molybdenum bi-nuclear complex [C40H44Mo2N2O20] were investigated using Hartree-fock (HF) and density functional theory (DFT) methods. These calculations were performed with the B3LYP, BPV86, B3PW91 and HF theoretical methods using the 6-311G, 6-311G**, 6-311++G** and LanL2DZ basis sets. To estimate the error rate between theoretical data and experimental data, RSquare and SError values were that according with the theoretical and experimental parameters found out DFT methods has more integration with experimental data compare to HF methods. In addition, through electron specification of compounds, the percentage of atomic orbitalâs attendance in making molecular orbitalâs, atoms electrical charge, the sustainable energy resulting of hydrogen bonding and also HOMO and LUMO orbitalâs energy achieved.       Theoretical studies on the geometrical parameters, hydrogen bonding and electronic properties of enamine ligand containing pyran cycle [C19H19O7N] and molybdenum bi-nuclear complex [C40H44Mo2N2O20] were investigated using Hartree-fock (HF) and density functional theory (DFT) methods. These calculations were performed with the B3LYP, BPV86, B3PW91 and HF theoretical methods using the 6-311G, 6-311G**, 6-311++G** and LanL2DZ basis sets. To estimate the error rate between theoretical data and experimental data, RSquare and SError values were that according with the theoretical and experimental parameters found out DFT methods has more integration with experimental data compare to HF methods. In addition, through electron specification of compounds, the percentage of atomic orbitalâs attendance in making molecular orbitalâs, atoms electrical charge, the sustainable energy resulting of hydrogen bonding and also HOMO and LUMO orbitalâs energy achieved.https://chemistry.semnan.ac.ir/article_651_fcac565475e687318ba58caf4c3d6f93.pdfSemnan University PressApplied Chemistry Today2981-243782820131122Effect of pH on the characteristics of boehmite nanostructures synthesized using hydrothermal methodEffect of pH on the characteristics of boehmite nanostructures synthesized using hydrothermal method697865210.22075/chem.2017.652FAMozaffarAbdollahifarJournal Article20170115In this research, micro/mesoporous boehmite nanostructures were successfully synthesized via hydrothermal route. The size and morphology of boehmite nanostructures could be controlled by adjusting the pH value of the reaction mixture. The resulting products were characterized by X-ray diffraction (XRD), FT-IR, FESEM, TEM analysis. The specific surface area and pore-size distribution of the obtained product as determined by N2 adsorption-desorption measurements show that the boehmite nanostructures possess high porosity properties. Our results showed that the acidic conditions (pH=4, 5) turned out to be favored toward the formation of the nanorods, and the basic conditions (pH=10) toward the formation of the nanoflakes.In this research, micro/mesoporous boehmite nanostructures were successfully synthesized via hydrothermal route. The size and morphology of boehmite nanostructures could be controlled by adjusting the pH value of the reaction mixture. The resulting products were characterized by X-ray diffraction (XRD), FT-IR, FESEM, TEM analysis. The specific surface area and pore-size distribution of the obtained product as determined by N2 adsorption-desorption measurements show that the boehmite nanostructures possess high porosity properties. Our results showed that the acidic conditions (pH=4, 5) turned out to be favored toward the formation of the nanorods, and the basic conditions (pH=10) toward the formation of the nanoflakes.https://chemistry.semnan.ac.ir/article_652_4266f475e7f6a1e64133d83ecedccca2.pdfSemnan University PressApplied Chemistry Today2981-243782820131122Electrochemical evaluation of fabricated dye sensitized solar cell (DSSC) with nanostructured thin film electrodes and natural dyeElectrochemical evaluation of fabricated dye sensitized solar cell (DSSC) with nanostructured thin film electrodes and natural dye799065310.22075/chem.2017.653FAMahsaSaeidiAhmadMozaffariSaraRahimnejadRezaRahmanianJournal Article20170115 Nowadays, Dye sensitized solar cells (DSSCs) emerged as a new class of low cost solar cells that affordable to convert light energy into electrical energy and also they are known as the third generation of solar cells founded on nano structured thin films. Titanium dioxide usually plays as the semiconductor for transmission of excited electrons from dye to the counter electrode (cathode). During one cycle of electron transfer, which electrolyte plays an important role in the electron transportation, electrons will return to the excited dye molecules. This phenomenon practically presents the sunlight conversion into electricity by solar cells. In this project eggplant was used as a natural source of dye for fabrication of DSSC. Dye extraction was performed by suitable solvent and its purification was conducted by Solid Phase Extraction columns. The electrochemical evaluation and final efficiency measurement of fabricated cells were carried out by Electrochemical Impedance Spectroscopy method which is well known as a powerful and non destructive technique in studying of charge transfer on the surface of nano structured electrodes. Nowadays, Dye sensitized solar cells (DSSCs) emerged as a new class of low cost solar cells that affordable to convert light energy into electrical energy and also they are known as the third generation of solar cells founded on nano structured thin films. Titanium dioxide usually plays as the semiconductor for transmission of excited electrons from dye to the counter electrode (cathode). During one cycle of electron transfer, which electrolyte plays an important role in the electron transportation, electrons will return to the excited dye molecules. This phenomenon practically presents the sunlight conversion into electricity by solar cells. In this project eggplant was used as a natural source of dye for fabrication of DSSC. Dye extraction was performed by suitable solvent and its purification was conducted by Solid Phase Extraction columns. The electrochemical evaluation and final efficiency measurement of fabricated cells were carried out by Electrochemical Impedance Spectroscopy method which is well known as a powerful and non destructive technique in studying of charge transfer on the surface of nano structured electrodes.https://chemistry.semnan.ac.ir/article_653_0c1ead75a254e328d1385b7f60d70158.pdfSemnan University PressApplied Chemistry Today2981-243782820131122Cadmium Removal from Aqueous Solutions by Magnetic Iron Oxide Bio AdsorbentsCadmium Removal from Aqueous Solutions by Magnetic Iron Oxide Bio Adsorbents9110565410.22075/chem.2017.654FAMohammadAbediMohammad HossienSalmaniZahraReisiJournal Article20170115Heavy metals in the water resources are one of the most important environmental problems of human societies. Up to now, various methods were considered for removal of heavy metals, which among them using of low cost adsorbents are more favorite but, separation of them from process is so difficult. In this study a novel magnetic adsorbent based on orange peel and iron oxides composite was synthesized and used for removal of cadmium ions from aqueous solution. Dry orange peels were milled and granulated in 0.125-0.250 mm by standard sieves. Magnetic iron oxide particles was separately synthesized and allowed to combine with granulated orange peels. Batch equilibrium absorption experiments were carried out at various initial Cd ion concentrations, contact times and adsorption dosages in constant temperature and pHzpc. At the end of each adsorption experiment, the separation of adsorbents from aqueous solution was performed by a magnetic bar. The results showed the magnetic orange peel iron oxide adsorbents had a high efficiency for adsorption of cadmium from aqueous solutions. The experimental adsorption isotherm of cadmium on magnetic orange peel adsorbents were determined and correlated with common isotherm equations such as Langmuir, Freundlich and Temkin models. The results indicated the Freundlich isotherm model was the best model for fitting the adsorption data.Heavy metals in the water resources are one of the most important environmental problems of human societies. Up to now, various methods were considered for removal of heavy metals, which among them using of low cost adsorbents are more favorite but, separation of them from process is so difficult. In this study a novel magnetic adsorbent based on orange peel and iron oxides composite was synthesized and used for removal of cadmium ions from aqueous solution. Dry orange peels were milled and granulated in 0.125-0.250 mm by standard sieves. Magnetic iron oxide particles was separately synthesized and allowed to combine with granulated orange peels. Batch equilibrium absorption experiments were carried out at various initial Cd ion concentrations, contact times and adsorption dosages in constant temperature and pHzpc. At the end of each adsorption experiment, the separation of adsorbents from aqueous solution was performed by a magnetic bar. The results showed the magnetic orange peel iron oxide adsorbents had a high efficiency for adsorption of cadmium from aqueous solutions. The experimental adsorption isotherm of cadmium on magnetic orange peel adsorbents were determined and correlated with common isotherm equations such as Langmuir, Freundlich and Temkin models. The results indicated the Freundlich isotherm model was the best model for fitting the adsorption data.https://chemistry.semnan.ac.ir/article_654_c9421076624471972a9604c433f01c8d.pdf