FT-IR,FT-Raman spectra and quantum mechanical study of piperidine-3-carboxylic acid and its tautomers,isomers

The mid-IR, far-IR, and Raman spectra of piperidine-3-carboxylic acid were measured and interpreted with support of the MP2 and B3LYP/6-311++G(d, p) calculated harmonic vibrational spectra. 10 stable piperidine-3-carboxylic acid tautomers/isomers were found after B3LYP, calculations. The experimental absorption bands of carboxylate (COO^?) group show that the free piperidine-3-carboxylic acid molecule exists in zwitterionic form and the most stable tautomer (NAT-1) can be stabilized by an intramolecular N-H...O hydrogen bond. All vibrational frequencies of NAT-1 assigned in detail with the help of total energy distribution (TED). The experimental vibrational wave numbers were compared with the calculated data.     

Investigation of 2-aminoethanethiol as corrosion inhibitor for steel using response surface methodology (RSM)

The inhibition efficiency of 2-aminoethanethiol (2-AEE) has been investigated against steel corrosion in 0.1 M HCl solution. The effect of temperature, pH, and concentration were studied with the help of potentiodynamic measurement, electrochemical impedance spectroscopy, scanning electron microscopy, and atomic absorption spectroscopy techniques. The potential of zero charge (E_pzc) studies showed that the adsorption occurs via ?SH group; the metal surface is positively charged in corrosive test solution. The adsorptive interaction is evaluated, and best correlation was obtained with Langmuir isotherm. 2-AEE was shown to have significant inhibition efficiency against steel corrosion. The response surface methodology was employed to explain the relation between pH, inhibitor concentration, and the efficiency. The regression analysis was realized for development of an equation between independent variables and the output. The success of fitting model was tested with basic statistical arguments, residual and variance analysis, T and F tests, and R ² value. The statistical evaluations showed that the obtained polynomial equation can be successfully used for optimization of applications involving the use of 2-AEE as inhibitor.     

Dynamic compensation temperature in the mixed spin-1 and spin-2 Ising model in an oscillating field on alternate layers of a hexagonal lattice

The dynamic behavior of a mixed spin-1 and spin-2 Ising system with a crystal-field interaction in the presence of a time-dependent oscillating external magnetic field on a hexagonal lattice is studied by using the Glauber-type stochastic dynamics. The lattice is formed by alternate layers of spins σ=1$\sigma =1$ and S=2. The Hamiltonian model includes intersublattice, intrasublattice and crystal-field interactions. The set of mean-field dynamic equations is obtained by employing the Glauber transition rates. Firstly, we study time variations of the average sublattice magnetizations in order to find the phases in the system, and the thermal behavior of the average sublattice magnetizations in a period or the dynamic sublattice magnetizations to obtain the dynamic phase transition points as well as to characterize the nature (continuous and discontinuous) of transitions. Then, the behavior of the dynamic total magnetization as a function of the temperature is investigated to find the dynamic compensation points as well as determine the type of behavior. We also present the dynamic phase diagrams for both presence and absence of the dynamic compensation temperatures in the nine different planes. According to the values of Hamiltonian parameters, besides the paramagnetic (p), antiferromagnetic (af), ferrimagnetic (i) and non-magnetic (nm) fundamental phases, eight different mixed phases and the compensation temperature or L- and N-types behavior in the Néel classification nomenclature exist in the system.     

Investigation of structural and optical properties of ZnO films co-doped with fluorine and indium

Undoped ZnO film and ZnO films, which are co-doped with F and In (FIZO) at different concentrations, were synthesized by sol–gel technique and the effects of co-doping of F and In on structural and optical properties of ZnO thin films were investigated. The concentration ratio of [F]/[Zn] was altered from 0.25 to 1.75 with 0.50 step at.% mole and [In]/[Zn] was altered from 0.25 to 1.00 with 0.25 step at.% mole. X-ray diffraction analysis indicates that the films have polycrystalline nature and the (0 0 2) preferred orientation is the stronger peak. No extra phases involving zinc, fluorine and indium compounds were observed even at high F and In content. The grain size of undoped ZnO and FIZO thin films varied between 15 and 20 nm with a small fluctuation. From the SEM images, although the undoped ZnO had a smooth and particle-shaped surface, FIZO films had nanofiber-networks shapes over the surface with average size of 500 nm. The surface morphologies and crystallite sizes for the F and In doped films were slightly different from than those of undoped film. From the optical study, a slight shrinkage of band gap was backwardly observed from 3.36 to 3.25 eV with the increasing of F and In content.     

Characterization,slab-pair modeling and phase analysis of circular fishnet metamaterials

Planar metamaterials, which have incident to normal plane excitation unlike SRR-type structures and that are easily fabricated in multilayer form, have received great interest in recent years. In this paper, one-dimensional and polarization independent circular fishnet metamaterials and their equivalent discontinuous slab-pair modeling for tuning resonance frequencies are introduced. After the numerical and experimental demonstration of the inclusions, the standard retrieval characterization methods and the correspondent/related backward-wave propagation observation are realized in order to check the physical explanation mentioned in the paper. In addition, a detailed phase analysis is performed in order to demonstrate the application of the suggested structure as a phase compensator.     

Utilization of Fly Ash Nanofluids in Two-phase Closed Thermosyphon for Enhancing Heat Transfer

This study investigates how fly ash nanofluids affect the thermal performance of a two-phase closed thermosyphon at various states of operation. The utilization of nanofluids obtained from X₂O₃-type oxides, such as Al₂O₃, Fe₂O₃, or CuO, on the improvement of two-phase closed thermosyphon performance was reported in a number of studies in the literature. The present study experimentally demonstrated the effect of using a nanofluid obtained from fly ash comprised of various types of metal oxides in varying ratios on improving the performance of a two-phase closed thermosyphon. The fly ash was obtained from the flue gas that was captured in the cyclones of the Yatagan thermal power plant (Turkey). Triton X-100 (Dow Chemical Company) dispersant was used in the study to produce the 0.2% (wt) fly ash/water nanofluid via direct synthesis. A straight copper tube with an inner diameter of 13 mm, outer diameter of 15 mm, and length of 1 m was used as the two-phase closed thermosyphon. The nanofluid filled 33.3% (44.2 ml) of the volume ofthe two-phase closed thermosyphon. Three heating power levels (200, 300, and 400 W) were used in the experiments with three different flow rates of cooling water (5, 7.5, and 10 g/s) used in the condenser for cooling the system. A increase of 26.39% was achieved in the efficiency of the two-phase closed thermosyphon when 4% (wt) fly ash containing nanofluid was used to replace deionized water at a heat load of 200 W and with a cooling water flow rate of 5 g/s.     

EPR of Cu2+-doped Cs2CO3 and CsHCO3: evidence of the Jahn–Teller effect

Cu²⁺-doped Cs₂CO₃ and CsHCO₃ single crystals were investigated by electron paramagnetic resonance between 113–273 and 173–313 K, respectively. For both single crystals, two sites were observed for the Cu²⁺ at ambient temperature for arbitrary orientations of the single crystals in the magnetic field. However, when the temperature is varied, the spectra indicate the equivalence of the two sites at 225 and 240 K for the single crystals, respectively, to the above order. Below and above these temperatures two sites for Cu²⁺ appear, and below 133 and 173 K the signals do not vary and two sites were always observed. This is attributed to the transition of the dynamic Jahn–Teller effect to a static situation at lower temperatures. Cu²⁺ seems to replace Cs⁺ and the charge compensation is fulfilled by another Cs⁺. Spin-Hamiltonian parameters for both single crystals at ambient temperature are reported and discussed.