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Öğe Experimental and theoretical studies for mild steel corrosion inhibition in 1.0 M HCl by three new quinoxalinone derivatives(ELSEVIER SCIENCE BV, 2016) Tazouti, A.; Galai, M.; Touir, R.; Touhami, M. Ebn; Zarrouk, A.; Ramli, Y.; Saracoglu, M.; Kaya, S.; Kandemirli, F.; Kaya, C.Three quinoxalinone derivatives, namely (E)-3-styrylquinoxalin-2(1H)-one (SQ), (E)-3-(4methoxystyryl)quinoxalin-2(1H)-one (MOSQ) and (E)-3-(4-methoxystyry1)-7-methylquinoxalin-2(1H)-one (MOSMQ) were synthesized and characterized. Thus, their inhibition effects on mild steel corrosion in 1.0 M HCl medium were investigated using weight loss method, electrochemical measurements. The effect of temperature on the corrosion behavior of mild steel was studied in the range of 298-328 K. Polarization measurements indicated that, the studied compounds act as a mixed type inhibitors, the inhibition efficiency depends on their concentrations and followed the order MOSQ> MOSMQ> SQ Electrochemical impedance spectroscopy showed that all compounds act by the formation of a protective film at the metallic surface. The adsorption of three inhibitors on steel surface obeyed Langmuir model, thus the thermodynamic and kinetic parameters were calculated and discussed. In the part based on DFF calculations of this study, some electronic properties of studied molecules were calculated and discussed with the help of B3LYP/6-311G (d,p), B3LYP/6-311 ++G (d,p) and B3LYP/6-311G ++ (2d,2p) methods. The theoretical and experimental results are in good agreement. (C) 2016 Elsevier B.V. All rights.reserved.Öğe The geoelectrical structure of northwestern Anatolia, Turkey(SPRINGER BASEL AG, 2007) Ulugergerli, E. U.; Seyitoglu, G.; Basokur, A. T.; Kaya, C.; Dikmen, U.; Candansayar, M. E.The magnetotelluric method has been employed to generate a geoelectrical model that will reveal the rich geological pattern and dynamic character of western and northwestern Anatolia, Turkey. Magnetotelluric data were collected from 53 sites along a profile of 290 km from the Dardanelles to the Alasehir Graben. Magnetotelluric data were in the range of 0.00055 Hz to 320 Hz. The models were obtained through 2-D joint inversion of transverse electric and transverse magnetic modes. Lateral changes in geoelectrical models are verified by using gravity and magnetic data. In addition, some of the seismological data presented here agree with proposed models that suggest a brittle-ductile structure boundary at a depth of 20 km. Generally speaking, a regional extensional regime caused reduction in the thickness of the crust and consequent uplift towards the south. The constructed model delineates the western part of the North Anatolian Fault Zone along the Biga Peninsula. The current patterns of volcanic activity on the Biga Peninsula and at Kula are related to conductive spots presented in the models. The border of the Gordes Basin, located between the Izmir - Ankara suture zone and the Menderes Massif, is also well delineated. The North Anatolian Fault Zone presents a pattern in which density and susceptibility anomalies attain relatively high values. Fillings covering most of the surface have lower density and susceptibility values than those of underlying structures.Öğe New triazepine carboxylate derivatives: correlation between corrosion inhibition property and chemical structure(Springer Heidelberg, 2020) Alaoui, K.; El Kacimi, Y.; Galai, M.; Serrar, H.; Touir, R.; Kaya, S.; Kaya, C.In this investigation, attempts have been made to study the corrosion inhibition properties of three new triazepine carboxylate compounds for mild steel in 1.0 M hydrochloric acid medium. The evaluation was carried out using mass loss, electrochemical impedance spectroscopy and polarization curves measurement. Impedance diagrams and Bode plots for uninhibited and inhibited systems were analyzed using Zview program. The fitted data observed trails in nearly the same pattern as the experimental results. It is showed that triazepine carboxylate compounds are very good inhibitors for mild steel corrosion in 1.0 M hydrochloric acid medium which act as mixed-type inhibitors. So, the inhibition efficiency was increased with inhibitor concentration in the order Cl-Me-CN > Me-CN > Cl-Me-CO2Et which depended on their molecular structures. Electrochemical impedance spectroscopy showed that all compounds act by the formation of a protective film at the metal surface. Surface analyses via SEM and Optical 3D profilometry were used to investigate the morphology of the steels before and after immersion in 1.0 M HCl solution containing inhibitors. The correspondence between inhibition property and molecular structure of the triazepine carboxylate compounds was investigated, using density functional theory (DFT). Experimental and DFT study was further supported by molecular dynamic simulations study.Öğe Structural, spectral, DFT and biological studies on macrocyclic mononuclear ruthenium (II) complexes(ELSEVIER SCIENCE BV, 2017) Muthukkumar, M.; Kamal, C.; Venkatesh, G.; Kaya, C.; Kaya, S.; Enoch, Israel V. M. V.; Vennila, P.; Rajavel, R.Macrocyclic mononuclear ruthenium (II) complexes have been synthesized by condensation method [Ru (L1, L2, L3) Cl-2] L-1 = (C-36 H-31 N-9), L-2= (C42H36N8), L-3= (C32H32 N-8)]. These ruthenium complexes have been established by elemental analyses and spectroscopic techniques (Fourier transform infrared spectroscopy (FT-IR), H-1-nuclear magnetic resonance (NMR), C-13-NMR and Electrospray ionization mass spectrometry (ESI-MS)). The coordination mode of the ligand has been confirmed and the octahedral geometry around the ruthenium ion has been revealed. Binding affinity and binding mode of ruthenium (II) complexes with Bovine serum Albumin (BSA) have been characterized by Emission spectra analysis. UV-Visible and fluorescence spectroscopic techniques have also been utilized to examine the interaction between ligand and its complexes L1, L2, & L3 with BSA. Chemical parameters and molecular structure of Ru (II) complexes L1H, L2H, & L3H have been determined by DFT coupled with B3LYP/6-311G** functional in both the gaseous and aqueous phases. (C) 2017 Elsevier B.V. All rights reserved.
