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- MakaleAçık Erişim2025Theoretical Investigation of the Molecular Properties of the Fluoroaniline and Fluoroanisole Isomers
Kepceoğlu, Abdullah; Ekincioğlu, Yavuz
This research paper aims to analyse the molecular properties of fluoroaniline and fluoroanisole isomers through a range of theoretical methods. These methods include optimization of molecular structures, conformational analysis, and calculation of nonlinear optics (NLO) properties, frontier molecular orbital (HOMO-1, HOMO/SOMO, LUMO, LUMO+1) energies, chemical reactivity descriptors (ionization potentials - vertical and adiabatic, electron affinity, chemical hardness, softness, and electronegativity), molecular electrostatic potential (MEP), natural bonding orbital (NBO), and UV-Vis spectra. To achieve this, the density functional theory method with B3LYP functional and 6-311++G (d, p) basis set were used for the calculations. Additionally, the research examines the vertical and adiabatic ionization energy parameters of the molecules by constructing singly charged cation radicals. The outcome of this study provides valuable insights into the molecular properties of fluoroaniline and fluoroanisole isomers, which can be useful in the production of pharmaceuticals and agrochemicals.
AtıfOpenAlex1
İncele - MakaleAçık Erişim2021Feasible Waveguide Method for Obtaining ElectromagneticProperties of Biaxial Bianisotropic Materials with Strong Magneto Electric Coupling
Kaya, Yunus
In this study, an easy-to-apply waveguide method is proposed for material characterization of biaxial bianisotropic samples withstrong magneto-electric coupling. Its underlying expressions are derived considering scattering (S-) parameters of the sample at onefixed orientation in two waveguides at their dominant modes with different cross sections. The method is validated by synthesized andretrieved electromagnetic properties of a sample when there is no/some noise.
- MakaleAçık Erişim2019Mikrodalga Destekli Yakma Metoduyla Kalsiyum Aluminat (CaAl2O4) Spinel Seramiklerin Sentezi ve Karakterizasyonu
Karakas, Ibrahim Hakki
Bu deneysel çalışmada, spinel seramiklerin önemli bir türü olan kalsiyum aluminat (CaAl2O4) nanopartiküllerinbasit, hızlı ve etkili bir sentez tekniği olan mikrodalga destekli yakma metoduyla sentezlenebilirliği vekarakterizasyonu araştırılmıştır. Bu amaçla yakıt olarak üre kullanılarak CaAl2O4 nanopartiküller mikrodalgadestekli yakma metoduyla sentezlenmiştir. Elde edilen ürünler TGA, XRD, FT-IR, SEM ve TEM teknikleri ilekapsamlı bir şekilde analiz edilmiştir. Bu üründe yapılan XRD ve FT-IR analizleri uygulanan mikrodalgaetkisinin ürünlerin tam dönüşümünde tek başına yeterli olmadığı belirlenmiştir. Buna göre, elde edilennanopartiküllerin yapısal ve morfolojik özelliklerini iyileştirmek ve ürüne dönüşüm oranını arttırmak için 300°Cile 1000°C derece arasında değişen sıcaklıklarda ısıl işleme tabi tutulmuştur. 800°C ve üzerindeki sıcaklıklardauygulanan ısıl işlem sonrasında elde edilen partiküllerin tamamen kalsiyum aluminat nanopartikülleredönüştükleri belirlenmiştir.
AtıfOpenAlex1İncele - MakaleAçık Erişim2017Exergetic Comparison of Single and Double Effect Absorption Cooling Cycles
Karaali, Rabi
Absorption cooling cycles are environmental and can use solar or waste heat for cooling with very small electric power. This workpresents exergy analysis of a double effect parallel flow and single effect absorption cooling systems for comparison. A computerprogram is developed for the thermodynamic properties of lithium bromide-water solutions by the author in FORTRAN codes forthe exergy analysis. The double effect parallel flow absorption systems have better advantages than the single effect absorption system.The coefficient performance (COP) and the exergetic coefficient performance (ECOP) of the double effect parallel flow absorptionsystems are higher than the single cycles. For the double effect cycle COP and ECOP are found as 1.195 and 0.28, and for the singleeffect cycle COP and ECOP are found as 0.68 and 0.23, respectively. For each component the exergy loss and exergy destruction iscalculated. Most of the irreversibilities are found in the evaporator and in the absorber which about 74 % for the double effect, and 72% for the single effect of the total irreversibility. It is concluded that the performance of the evaporator and the absorber is crucial forthe two cycles. Improving and better design of these two components will directly improve and affect positively the working conditionsand the performance of the cycles.
- MakaleYalnız künye2015Thoermodynamic Analyses of Steam Injected Gas Turnine Cogeneration Cycles
Karaali, Rabi; Öztürk, İlhan Tekin
In this study, air preheating, air-fuel preheating and simple cycles where steam injected in to combustion chamber are analyzed. The effects of steam injection on thermodynamic performance are calculated and obtained for the three different gas turbine cogeneration systems. Simulation programs written by the authors in FORTRAN code are obtained for the analyses by applying the first law of thermodynamics and the exergy analysis method. Thermodynamic performance of these three different cycles for variable mass of injected steam and different stages are obtained and compared with the results of the literature. The effects of injection steam into combustion chambers of those three cycles for variable compressing ratios, on power, efficiencies and performance are obtained. Consequently, the advantages and the disadvantages of injection steam are evaluated and all results of this study are compared with the literature. Injection steam into combustion chamber increases the electricity power and the electricity efficiency but decreases the heat power of the cycles.