Enol-Keto tautomerism in 1-[(E)-1,3-benzothiazol-2-ylazo]naphthalen-2-ol has been studied using the B3LYP functional of density functional theory (DFT) with 6-31G(d,p) basis set. Relative and absolute energies, transition state geometries (TS), dipole moments, entropies, enthalpies and Gibbs free energies, equilibrium constants (K_T) and rate of tautomerization (k_r) were calculated. Also, the computations of geometries and vibration frequencies for the tautomers were calculated and compared. The results of the calculations showed that the enol form is the most stable form than other isomers, this might be due to intra-hydrogen bonding. The TS1 activation energies for tautomer A ↔ B, ta

   Today, dimethyl ether (DME) is changing to ordinarily worn as a superb aerosol propellant and refrigerant for its eco-friendly characteristics. Lately, with the development of novel chemical energy in the coal industries, it has become a fascinating field of research as an alternative green fuel for diesel machines due to the high cetane number. The DME synthesis processes include catalytic dehydrating methanol in an adiabatic fixed-bed reactor. In this study, to investigate the chemical conditions of the methanol dehydration reaction, CFD simulations of the adiabatic reactor have been assessed. The advantage of the work is a sensitivity analysis was run to find the effect of pressure, kinetics, and velocity on the reactor performan

The D.C. electrical properties of poly (ethylene oxide)/MgCl2 composites were investigated as a function of different MgCl2 filler concentrations (0, 5, 10, 15 and 20 wt.%) and different temperatures in the range (276–333)o K at three different polarizing fields. Resistivity: and dc Conductivity: σ dc were measured, and the activation energy: Ea of the thermal rate-process of the electrical conduction was investigated. It was found that the current-voltage measurement results exhibited Ohmic resistance behavior, the composites exhibit negative temperature reliance of resistivity and enhancement in the D.C. electrical conductivity with both temperature and MgCl2 concentration. The determined activation energy was found to

The effect of α-particle irradiation on the optical absorption in nuclear track detectors (LR115) has been studied. These detectors have been irradiated with different doses. The optical absorption has been measured using the ultraviolet-visible (UV-1100) spectroscopy, that irradiation results in shifting the peaks of the optical absorption. The values of Urbach energy have been calculated from the position of steady-state optical band gap energy, for a standard sample which was unirradiated with indirect influence, has been found 1.9 eV  whereas its value after irradiation 1.98 eV. In case of the direct influence, it is found to be, respectively, before irradiation 1.98 eV and after irradiation 2.05 eV. From these results, we can

Oily carwash wastewater is a high organic and chemical wastewater. This paper targeted to investigate a treatment to decrease the water consumption and contaminants in car-washing stations. Electrocoagulation combined with ultrasonic energy (Sono-Electrocoagulation) was suggested so that the carwash wastewater is treated to be reused. The effect of both the voltage and time of treatment on the removal of COD, turbidity, conductivity, and total dissolved solids (TDS) were studied at constant initial pH 7 and electrode distance 2 cm. The results showed the best results of removal COD, turbidity, TDS, and reduce electrical conductivity is when the voltage was 30 V and a treatment time of 90 minutes.

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In the current research the absorption and fluorescence spectrum
of Coumarin (334) and Rhodamine (590) in ethanol solvent at
different concentration (10-3, 10-4, 10-5) M had been studied. The
absorption intensity of these dyes increases as the Concentration
increase in addition to that the spectrum was shifted towards the
longer wavelength (red shift). The energy transfer process has been
investigated after achievement this condition. The fluorescence peak
intensity of donor molecule was decrease and its bandwidth will
increases on the contrary of the acceptor molecule its intensity
increase gradually and its bandwidth decreases as the acceptor
concentration increase.

New, simple and sensitive batch and reverse FIA spectrophotometric methods for the determination of doxycycline hyclate in pure form and in pharmaceutical preparations were proposed. These methods based on oxidative coupling reaction between doxycycline hyclate and 3-methylbenzothiazolinone-2-hydrazone hydrochloride (MBTH) in the presence ammonium ceric sulfate in acidic medium, to form green water-soluble dye that is stable and has a maximum absorbance at 626 nm. A calibration graph shows that a Beer's law is obeyed over the concentration range of 1-80 and 0.5-110 ?g.mL-1 of DCH for the batch and rFIA respectively with detection limit of 0.325 ?g.mL-1 of DCH for r-FIA methods. All different chemicals and physical experimental paramete

Liquid electrodes of domperidone maleate (DOMP) imprinted polymer were synthesis based on precipitation polymerization mechanism. The molecularly imprinted (MIP) and non-imprinted (NIP) polymers were synthesized using DOMP as a template. By methyl methacrylate (MMA) as monomer, N,Nmethylenebisacrylamide (NMAA) and ethylene glycol dimethacrylate (EGDMA) as cross-linkers and benzoyl peroxide (BP) as an initiator. The molecularly imprinted membranes were synthesis using acetophenone (APH), di-butyl sabacate (DBS), Di octylphthalate (DOPH) and triolyl phosphate (TP)as plasticizers in PVC matrix. The slopes and limit of detection of l

Owing to the energy crisis and pollution problems of today, investigations have concentrated on
decreasing fuel consumption and on lowering the concentration of toxic components in combustion
products by using non-petroleum, renewable, sustainable and non-polluting fuels. While conventional energy sources such as natural gas, oil and coal are non-renewable, alcohol can be coupled to renewable and sustainable energy sources.
In this study, the combustion characteristics of diesel fuel and methanol blends were compared.
The tests were performed at steady state conditions in a four-cylinder DI diesel engine at full load at
1500-rpm engine speed. The experimental results showed that diesel methanol blends provided
12.7% inc

The accumulation of toxic elements in vegetables and melons grown in agriculture, Brassica rapa - turnip, Solanum lycopersicum - tomato, Citrullus lanatus - watermelon, Capsicum annuum - bell pepper, Daucus carota - carrots, Cucurbita pepo - pumpkin, Cucumis melo - melon, and also Prunus armeniaca - apricot from fruit trees were analyzed. The excess of maximum allowable concentrations in agricultural crops of the element As by 1.65-1.75, Cd - 1.6-2.3, Cr -1.2-2.35, Cu -1.6-3.3, Ni - 1.16-3.53, Pb - 1.54-3.08, Al - 1.36-3.5, Sb - 2.0-33, Se - 1.1-3.3 times was established. The maximum allowable concentration of mercury in vegetables and melons was equal to 0.02 mg/kg,