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101.
Sarvin Hossien Saraf Reza Ghiasi 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2020,94(5):1047-1052
Russian Journal of Physical Chemistry A - In this study, using the B3LYP* method, quantum chemical computations were applied for analyzing the effects of solvent on the electronic spectrum features... 相似文献
102.
In this study, natural‐based ionic liquid (IL) using caffeine (Caff), trietahnolamine (TEA) and ZnBr2, [Caff‐TEA]+[ZnBr3]?, which features high catalytic activity and environmentally‐friendly nature was synthesized with melting point of 76 °C by a facile method. The synthesized [Caff‐TEA]+[ZnBr3]? has high catalytic activity as both of catalyst and solvent in condensation reactions for the synthesis of benzylidenes, bis‐hydroxyenones and xanthenes. Synthesized IL was characterized by proton nuclear magnetic resonance (1HNMR), Fourier transform infrared spectroscopy (FT‐IR), X‐ray diffraction (XRD) and Energy‐dispersive X‐ray spectroscopy (EDX) analysis. Also synthesized heterocycles were characterized by FT‐IR, proton nuclear magnetic resonance (1HNMR) and carbon nuclear magnetic resonance (13CNMR). 相似文献
103.
Reza Haghbakhsh 《Physics and Chemistry of Liquids》2019,57(3):401-421
In this study, a new correlation is proposed for estimating 1-alkyl-3-methylimidazolium ionic liquid (IL) viscosities at different temperatures and atmospheric pressure. Since ILs are rather novel, many of their physical properties are still unavailable. Because of this limitation, the aim of this work was to propose a correlation with a new insight and approach, which requires a minimum number of physical properties as input parameters. In addition to minimal dependency on physical properties, further goals in the development of the model were generality, ease-of-use, simplicity and high accuracy. A total of 2073 literature viscosity datapoints at different temperatures for 38 different ILs were used and a correlation was developed which satisfied the above-mentioned goals. The IL viscosity models of Lazzús and Pulgar-Villarroel, and Gardas and Coutinho were compared to the proposed correlation. More reliable results were obtained by the proposed relation in comparison to literature models. 相似文献
104.
105.
Atieh Khosravi Mohammad Reza Khani Elham Dejban Goy Babak Shokri 《Plasma Chemistry and Plasma Processing》2018,38(2):365-378
In present paper, an atmospheric-pressure low-temperature plasma treatment of pyrolysis fuel oil (PFO) was investigated in dielectric barrier discharge plasma torch reactor. The effect of the applied voltage and the volume of feedstock, as the main parameters, on the cracking of PFO were studied. By increasing the applied voltage from 10 to 16 kV, the production rate of hydrocarbons containing methane, ethylene, acetylene, propane, propylene, and C4 rise 18 times. In this case, the production rate of hydrogen increases by approximately 14 times and reaches 7.27 × 10?3 mol/min for 16 kV. In the feedstock volume investigation, based on limitation of reactor volume, the production rate of hydrocarbons decreased from 0.44 × 10?3 to 0.15 × 10?3 mol/min by increasing volume of feedstock from 1 to 5 cc. 相似文献
106.
Ali Reza Kazemizadeh Nahid Shajari Reza Shapouri Neda Adibpour Reza Teimuri‐Mofrad Parisa Dinmohammadi 《应用有机金属化学》2016,30(3):148-153
A four‐component reaction between aromatic carboxylic acids, (N‐isocyanimino)triphenylphosphorane, ferrocenecarbaldehyde and dibenzylamine is reported. This approach is an efficient, simple and high‐yield procedure for the synthesis of 1,3,4‐oxadiazole derivatives containing a ferrocene unit. The antimicrobial activities of the products were investigated against Staphylococcus aureus and Pseudomonas aeruginosa in in vitro and in vivo assays. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
107.
Ahmad Reza Bagheri Mehrorang Ghaedi Kheibar Dashtian Shaaker Hajati Ali Akbar Bazrafshan 《应用有机金属化学》2018,32(1)
TiO2 nanoparticles deposited on activated carbon (TiO2–NP–AC) was prepared and characterized by XRD and SEM analysis. Subsequently, simultaneous ultrasound‐assisted adsorption of Cu2+ and Cr3+ ions onto TiO2‐NPs‐AC after complexation via eriochrome cyanine R (ECR) has been investigated with UV–Vis and FAA spectrophotometer. Spectra overlapping of the ECR‐Cu and ECR‐Cr complex was resolve by derivative spectrophotometric technique. The effects of various parameters such as initial Cu2+ (A) and Cr3+ (B) ions concentrations, TiO2‐NPs‐AC mass (C), sonication time (D) and pH (E) on the removal percentage were investigated and optimized by central composite design (CCD). The optimize conditions were set as: 4.21 min, 0.019 mg, 20.02 and 13.22 mg L?1 and 6.63 for sonication time, TiO2–NP–AC mass, initial Cr3+ and Cu2+ ions concentration and pH, respectively. The experimental equilibrium data fitting to Langmuir, Freundlich, Temkin and Dubinin–Radushkevich models show that the Langmuir model is a good and suitable model for evaluation and the actual behavior of adsorption process and maximum adsorption capacity of 105.26 and 93.46 mg g?1 were obtained for Cu2+ and Cr3+ ions, respectively. Kinetic evaluation of experimental data showed that the adsorption processes followed well pseudo second order and intraparticle diffusion models. 相似文献
108.
Abasabadi Reza Khaleghi Khodadadi Abbas Ali Mortazavi Yadollah 《Research on Chemical Intermediates》2021,47(4):1429-1446
Research on Chemical Intermediates - The importance of electronic and chemical properties of nitrogen-doped reduced graphene oxide (NRGO) has attracted more attention in recent years. Various... 相似文献
109.
Maryam S. Sadeghi Mohammad Reza Moghbeli William A. Goddard III 《Journal of polymer science. Part A, Polymer chemistry》2021,59(7):614-626
We followed the self-assembly of high-molecular weight MePEG- b -PCL (poly(methyl ethylene glycol)-block-poly(ε-caprolactone)) diblock and MePEG- b -PBO- b -PCL (poly(methyl ethylene glycol)-block-poly(1,2-butylene oxide)-block-poly(ε-caprolactone)) into micelles using molecular dynamics simulation with a coarse grain (CG) force field based on quantum mechanics (CGq FF). The triblock polymer included a short poly(1,2-butylene oxide) (PBO) at the hydrophilic-hydrophobic interface of these systems. Keeping the hydrophilic length fixed (MePEG45), we considered 250 chains in which the hydrophobic length changed from PCL44 or PBO6- b -PCL43 to PCL62 or PBO9- b -PCL61. The polymers were solvated in explicit water for 2 μs of simulations at 310.15 K. We found that the longer diblock system undergoes a morphological transition from an intermediate rod-like micelle to a prolate-sphere, while the micelle formed from the longer triblock system is a stable rod-like micelle. The two shorter diblock and triblock systems show similar self-assembly processes, both resulting in slightly prolate-spheres. The dynamics of the self-assembly is quantified in terms of chain radius of gyration, shape anisotropy, and hydration of the micelle cores. The final micelle structures are analyzed in terms of the local density components. We conclude that the CG model accurately describes the molecular mechanisms of self-assembly and the equilibrium micellar structures of hydrophilic and hydrophobic chains, including the quantity of solvent trapped inside the micellar core. 相似文献
110.
Hashemi Karouei Seyed Hossein Ajarostaghi Seyed Soheil Mousavi Gorji-Bandpy Mofid Hosseini Fard Seyed Reza 《Journal of Thermal Analysis and Calorimetry》2021,143(2):1455-1466
Journal of Thermal Analysis and Calorimetry - In the present study, the effect of inserting an innovative curved turbulator and utilizing two types of hybrid nanofluids on thermal performance in a... 相似文献