Savaş Kaya

Savaş Kaya
Sivas Cumhuriyet University · Health Services Vocational School

PhD
Assoc. Prof. Dr Inorganic chemistry

About

283
Publications
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Publications

Publications (283)
Article
The present study reports the quantum chemical studies and quantitative structure activity relationship (QSAR) modeling of thirty ionic liquids utilized as chemical additives to repress mild steel degradation in 1.0 M HCl. Five molecular descriptors obtained from standardization of calculated descriptors together with the inhibitor concentration we...
Article
Full-text available
In this research, some novel Schiff base derivatives 10–18 were synthesized for the first time, characterized, and tested for their anticancer activities. Spectroscopic characterization of the synthesized molecules 1–18 was carried out by using elemental analysis (C, H, N, S), FT-IR, HRMS, 1 H- and 13C- NMR and DEPT-135 spectroscopic techniques. Th...
Article
This work reports the molecular dynamic (MD) simulation modeling of the adsorption mechanisms of anionic dyes; tartrazine (TRZ), sunset yellow (SSY), and brilliant blue (BRB) on the chitosan (Chit) (110) surface. Quantum chemical descriptors calculations suggested a strong inclination of chitosan to donate electrons indicating that it can be readil...
Article
Herein, Fluorapatite has been calcined and successfully applied for the removal of As(VI). The materials prepared have been characterized using X-ray diffraction, Fourier-transform infrared spectroscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. Thermogravimetric analysis and point zero charge pH were also considered as...
Article
Adsorption is a widely used method for pollution removal and for the recovery of valuable species. In recent years, the use of metal–organic compounds among the adsorbents used in adsorption studies has increased. In this study, the performance of the water-insoluble Fe complex as a metal organic framework (MOF-Fe-Ta) of water-soluble tannic acid,...
Article
3-(4-hydroxybutyl)-1-phenethyl-1H-imidazol-3-ium chloride ([HB-Imid] Cl), and 3-(2-chlorobenzyl)-1-phenethyl-1H-imidazol-3-ium chloride ([CB-Imid] Cl) were investigated as corrosion inhibitors for mild steel in 1.0 M hydrochloric acid solution. Electrochemical techniques (PDP and EIS) were performed as experimental studies while DFT at B3LYP 6-311G...
Article
In this study, polyaniline was synthesized using two methods; in-situ polymerization using tartaric acid as a dopant (PANI/TA) and emulsion polymerization in the presence of hexadecyltrimethylammonium bromide as a surfactant (PANI/HTAB). Samples were characterized by SEM-EDX, FTIR, and XRD analyses. Subsequently, materials were evaluated for the ad...
Article
Full-text available
The anti-corrosive properties of Catha Edulis extract have been investigated for its protective action as a green inhibitor in 1 M HCl media. An ethanolic extract of Catha Edulis leaves (CELE) was used to inhibit corrosion of C38 steel. Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization methods were applied to investigate...
Article
In the current investigation, the corrosion inhibition efficacy of a weed, Vicia Sativa has been investigated on the mild steel corrosion in 0.5 M HCl using weight-loss (WL) method, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization measurements (PDP) and scanning electron microscope (SEM) techniques, in addition to surface...
Article
Full-text available
Five new mixed ligand Fe (III) complexes, namely, [FeL1(acac)] (L1Fe), [FeL2(acac)] (L2Fe), [FeL3(acac)] (L3Fe), [FeL4(acac)] (L4Fe), [FeL5(acac)] (L5Fe); were synthesized from the reaction of iron (III) acetylacetonate with [ONS] donor dibasic tridentate symmetrical bisthiocarbohydrazone ligands. Synthesized mixed ligand Fe (III) complexes were ch...
Article
This study reports microwave (MW) assisted synthesis of N (-benzo[d]thiazol-2-yl)-1-(thiophene-2-yl) methanimine (BTTM) in reasonably good yield and purity. The synthesized compound (BTTM) has been characterized by elemental analysis, IR and 1H NMR spectroscopy and examined for its corrosion inhibition activity for mild steel in aqueous H2SO4 mediu...
Chapter
: Corrosion is the gradual breakdown of substances (typically metals) determined by the chemical and/or electrochemical processes with their environment over time. Corrosion has become a critical concern since it not only damages metals and alloys but also impacts our supplies and the menial work engaged in the production of various metallic instru...
Chapter
The motivation behind this chapter is to give an outline of the bibliographic insights expected to structure our segment. We examine modern green corrosion inhibitors and their restraint and adsorption systems. The corrosion repressing impacts of different plant extracts are additionally discussed utilizing weight loss (WL) and electrochemical tech...
Article
The developing effective and eco-friendly corrosion inhibitor plays a vital role in protecting Q235 steel in acid solution. Accordingly, novel pyrimidine derivatives, namely 4-Amino-2-phenyl-1,2-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carbonitrile (APC), were synthesized and applied as the corrosion inhibitor under hydrodynamic conditions in 15...
Chapter
The corrosion of metal materials is an ongoing problem in the chemical industry. The use of sustainable and green technologies in corrosion protection is a very important task, because, the rise in environmental and ecological awareness. Currently, ionic liquids (ILs) based corrosion inhibitors are widely performed to protect the metal materials fr...
Article
Quantum chemical approaches are very much significant in the field of corrosion chemistry to understand the structure-property relationship of various organic molecules as corrosion inhibitors. Here is the adsorption behavior of three organic azo-dyes, viz. 6-((4-(diethylamino)-2-methylphenyl)diazenyl)benzo[de]isochromene-1,3-dione (named as Dye-1)...
Article
Full-text available
A novel thermally stable inhibitor was developed based on citric acid and glucose (CAGCI) to inhibit the corrosion of mild steel (MS) in simulated acidic oilfield water for oil well acidizing. All electrochemical measurements were performed in a temperature range of 293-363 K in order to evaluate the inhibition power of CAGCI. The results of electr...
Chapter
Corrosion is a destructive phenomenon that has catastrophic outcomes on technical and commercial applications, specifically in oil and gas-related enterprises. Thus, mitigating metallic corrosion is a crucial need of technological, economic, environmental and elegant need that could save huge money on equipment, machinery and construction. Polymers...
Article
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The aluminium-carbon interaction in two core-shell systems (Al22 nanoparticle coated with graphene nanoflake and Al@C60 metallofullerene) is investigated within the density functional theory. A set of non-equilibrium configurations of the coated Al22 nanoparticle is obtained from the ab initio molecular dynamics simulation. The Morse parameters des...
Article
In this study, the chitosan boric acid (Ch‐B) composite has been prepared and characterized with sophisticated analytical techniques such as FT‐IR, SEM and EDX. The prepared Ch‐B adsorbent was applied for the adsorption of erythrosine B (EB) dye from water samples under the optimized parameters of pH, adsorbent dosage, time and temperature. Results...
Article
Cured epoxy polymers namely 3.3'-(phenylazanediyl) bis(1-((6-aminohexyl)amino)propan-2-ol) (EP/AlA) and 3.3'-(phenylazanediyl) bis(1-((4-(4-aminobenzyl)phenyl)amino)propan-2-ol) (EP/ArA) were used as potential protection coatings for carbon steel (CS) in 3.5% NaCl solution. The protection coatings of EP/AlA and EP/ArA on CS were investigated throug...
Article
Biofuel cells (BFCs) are devices that use the metabolic reactions in microorganisms during the decomposition of organic pollutants to convert chemical energy from organic materials to electrical energy. Owing to their non-polluting characteristics and price-effectiveness in contrast to fossil fuels, biofuels are rapidly gaining attraction as substi...
Article
In this research, two new hydrazone derivatives; namely compound 1 (N'-(4-((2-hydroxyethyl)(methyl)amino) benzylidene)nicotinohydrazide) and compound 2 (N'-(4-((2-hydroxyethyl)(methyl)amino) benzylidene)isonicotinohydrazide), were designed, successfully synthesized with high purity by treatment of N-methyl-N-(2-hydroxyethyl)-4-aminobenzaldehyde wit...
Article
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In this work, a comprehensive theoretical study was performed on the pyrolysis mechanism of Isopropyl acetate (IPA) using density functional methods (M06-2X, wB97XD) and ab initio complete basis setquadratic Becke3 (CBS-QB3) methods under combustion conditions over temperature ranges 6001700 K and pressure ranging from 0.001 to 100 atm. The entha...
Article
The development of green corrosion inhibitors is a challenging task as it has to comply with strict environmental regulations. Ionic liquids (ILs) have recently been proposed as promising corrosion inhibitors. The present paper reports on two ILs designed to act as green and efficient high-temperature corrosion inhibitors. The prepared ILs, namely,...
Article
Chitosan (Ch), vermiculite (V) and lignin (L) were used as the components of a natural composite adsorbent (Ch-VL) for the removal of the UO2²⁺ ions in aqueous solutions. During the study, we recorded and analyzed the initial UO2²⁺ ion concentration, initial pH, contact time, temperature, and recovery. The recycling performance of the Ch-VL composi...
Article
To search for high-performance π-conjugated donor molecules used in organic solar cells with heterojunction, Density Functional Theory (DFT) and TD-DFT using B3LYP/6-31 G(d,p) method were used to design and characterize three donor molecules (A2−A1−D−A1−A2) type derived from IDIC (reference) based on indacinodithiophene. These donor molecules were...
Article
A new potential model is proposed in this paper. This new potential named the screened modified Kratzer potential is solved within the nonrelativistic regime using Nikiforov–Uvarov-Functional Analysis (NUFA) to obtain the energy spectrum and the corresponding eigenfunction. The numerical results for selected diatomic molecules using the obtained en...
Article
In this research, a convenient, fast, and green dispersive solid phase extraction procedure based on Ti2C nanosheets was developed for effectively enrichment of some triazole pesticides prior to high performance liquid chromatography-tandem mass spectrometry. Characterization of the etching sorbent was carried out in details. Adsorption and desorpt...
Article
With the massive development of industrialization, multiple ecological contaminants in gaseous, liquid, and solid forms are vented into habitats, which is currently at the forefront of worldwide attention. Because of the possible damage to public health and eco-diversity, high-efficiency clearance of these environmental contaminants is a serious co...
Article
The arrival of organic moieties as corrosion inhibitors has expanded the research in the past few years which, as a result; involved different heteroatoms to be tested for their anti-corrosive potential. The presented research is focused on the synthesis of the aryl-substituted benzothiazoles namely 6-(4-Chlorophenyl) benzo[d]thiazol-2-amine (CBTA)...
Article
One of the most important purposes of theoretical chemists is to derive new, useful and reliable equations to compute the well‐known parameters like hardness, polarizability, magnetizability and electrophilicity providing enough hints for the reactivity analysis of the chemical systems. In the derivation of such equations, our research team widely...
Article
The corrosion inhibition investigation of aerial extract of Cnicus Benedictus, a weed referring to the Asteraceae family has been evaluated on the mild steel corrosion in 0.5 M HCl with the employment of the weight-loss method, potentiodynamic polarization measurements (PDP) and electrochemical impedance spectroscopy (EIS) techniques. This investig...
Article
Full-text available
We theoretically investigated the adsorption of two common anti-COVID drugs, favipiravir and chloroquine, on fluorinated C60 fullerene, decorated with metal ions Cr3+, Fe2+, Fe3+, Ni2+. We focused on the effect of fluoridation on the interaction of fullerene with metal ions and drugs in an aqueous solution. We considered three model systems, C60, C...
Article
Full-text available
This study aimed to remove carbamazepine from aqueous solutions, using functional silica phenylamine (SiBN), which is characterized and showed excellent chemical and thermal stability. Adsorbents based on silica were developed due to their unusually large surface area, homogenous pore structure, and well-modified surface properties, as silica spark...
Article
Full-text available
It is well known that, surfactants provide a neutral, positive and/or negative charge on the electrode surface by forming a monolayer, which in turn affects the charge transfer and redox potential during the electroanalysis process. However, the molecular level understanding of these surfactant-modified electrodes is worth investigating because the...
Article
Full-text available
In this work, the effects of new compounds, namely, 1-amino-5-(4-methylbenzoyl)-4-(4-methylphenyl) pyrimidin-2 (1H)-thione (AMMP), and 1-(5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl) 2-oxopyrimidin-1 (2H)-yl)-3-phenylthiourea (MMOPH) has been successfully investigated as a corrosion inhibitor for mild steel in a 1 M HCl solution. This investigation has...
Article
The petroleum pipeline corrosion is one of the biggest problems faced by oil industries. This investigation shows the corrosion resistance activity for SS-410 (stainless steel using in the petroleum pipeline), by varying the concentration of Piper nigrum leaves (PNL) extract. In this study, the effect of PNL extract for corrosion resistance of stai...
Article
An effective extraction procedure based dispersive solid phase extraction was developed for the extraction of different pesticides (dimethoate, imidacloprid, pirimicarb, carbaryl, fenitrothion, hexythiazox, and phosalone) from milk samples. The analytes were determined by high performance liquid chromatography-tandem mass spectrometry. In this meth...
Article
The current research demonstrates the adsorptive removal of ciprofloxacin antibiotic drug from pharmaceutical wastewater samples using functionalized silica (FS) resin through batch adsorption experiments. The adsorption experiments were performed under the optimized parameters such as pH effect, FS-resin amount, ciprofloxacin concentration, equili...
Article
A new Polyacrylamide (PAA)-Vermiculite (V) composite was synthesized and characterized with the help of FTIR, SEM, and PZC analyses. The effects of ion concentration, pH and ionic strength parameters to adsorption process were investigated in detail. The obtained data were analyzed and discussed in the light of the Langmuir, Freundlich and Dubinin-...
Article
In this work a commercial polymer-based dispersive solid phase extraction approach has been used in phenolic compounds extraction from wastewater samples. In the extraction procedure, firstly the sorbent (polyvinylpyrrolidone) forms a homogenous solution with aqueous phase contacting the analytes and then its solubility was decreased by adding sodi...
Article
Full-text available
We applied a genetic algorithm combined with the B3LYP/6-311G** approach to determine the structures of low-energy isomers of partially fluorinated fullerenes, the number of which is combinatorically huge. We found that the effective interaction of fluorine atoms on the fullerene surface can not be described within the pair approximation with suffi...
Article
Sr2Sn0.8In0.8W0.4O6 double perovskite powder was, first, prepared following an experimental study on the effects of substitutions of In and W in the high transparent strontium stannate SrSnO3 (SSO). The high temperature solid state reaction method was adopted for the preparation of the desired phase. Further, the W and In substitution's effects on...
Article
Full-text available
The corrosion of steel materials in alkaline-saline media is the largest problem in industry. Economical and environmentally friendly corrosion inhibitors are crucial for corrosion protection. The present work is the first to introduce a novel cucurbit[6]uril-based [3]rotaxane supramolecular ionic liquid (CB6-based [3]rotaxane) as a green and effic...
Article
Within the framework of Maximum Hardness and Minimum Polarizability Principles and as compatible with Jenkins Volume Based Thermodynamics approach, Kaya and coworkers calculated the lattice energies of inorganic ionic crystals using their ηM/Vm1/3 ratio (here ηM and Vm represent the chemical hardness and molar volume of any molecule, respectively)....
Article
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Twenty pyridazine derivatives with previously reported experimental data were utilized to develop predictive models for the anticorrosion abilities of pyridazine-based compounds. The models were developed by using quantitative structure-activity relationship (QSAR) as a tool to relate essential molecular descriptors of the pyridazines with their ex...
Article
Background The corrosion of St3 steel in 1 M NaCl saturated with CO2 and H2S is a large problem in the chemical industry; therefore, creating green and more efficient inhibitors is an urgent task. However, there have been extremely limited research results related to this problem. In this research, a novel glycoluril pharmaceutically active compoun...
Article
Background It is well-known that flavonoids, which can be easily obtained from many fruits and vegetables are widely preferred in the treatment of some important diseases. Some researchers noted that these chemical compounds exhibit high inhibition effect against various cancer types. Many experimental studies proving this ability of the flavonoids...
Chapter
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The interfacial contact of metallic-based materials with corrosive environments leads to the degradation of their physicochemical and mechanical properties. Such inevitable phenomena can cause undesirable impacts in three areas of concern: great economic loss, safety, and environmental damage. Corrosion prevention, as well as its mechanism, has bee...
Article
The corrosion of low–carbon steel in aggressive alkaline–saline environments is a very large problem. Protecting low–carbon steel from corrosion in aggressive alkaline–saline solutions using green inhibitors is a very important task in industry. However, there are no studies related to low–carbon steel corrosion in aggressive alkaline–saline enviro...
Chapter
The one of the main aims of theoretical and computational chemists and physicists is to develop new theories, theorems, electronic structure principles, chemical approaches and guiding rules to analyze the chemical behaviors of chemical species under certain conditions. The most important theory for the chemical reactivity analysis is density funct...
Chapter
Corrosion control of metals is an important activity of technical, economic, environmental, and aesthetical growth. Plant extracts have traditionally emerged as eco-friendly, readily available, renewable and cost-effective substitutes for pre-existing toxic chemical corrosion inhibitors. Availability of various functional groups of phytochemicals s...
Article
With the rapid increase in the global population, domestic and industrial energy consumption is rising at its peak, resulting in the incessant depletion of fossil fuels such as coal, oil and gas; thus, entailing the development of sustainable technologies based on renewable raw materials. Biofuels appear to be an ideal sustainable solution that cou...
Article
Water is being contaminated by different oxyanions which have many negative effects on the human body. This study deals with the adsorptive removal of Cr2O7⁻², AsO4⁻³, and ClO4⁻¹ oxyanions from water using diethanolaminomethylcalix[4]arene bonded silica (DBS) resin. The capacity of DBS resin for the removal of oxyanions was checked through batch me...
Article
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A novel adsorbent was synthesized by modification of waste rubber tiers derived activated carbon (AC) with diethylenetriamine (DETA)-trimesoyl chloride (TMC) copolymer. The synthesized AC/ETA-TMC nanocomposite was characterized by FT-IR and SEM/EDX techniques. Dependency of the adsorption yield on the batch parameters was studied via factorial desi...
Article
Full-text available
Quantum theory and analysis of chemical reactivity were applied to choose suitable adsorbents that ensure efficient solid-phase microextraction of dioxane and dioxalane from milk. It is shown that carbon nanostructures possess some advantages over primary and secondary amines.
Article
Novel six Ni(II) complexes of an NNS donor 2-benzoylpyridine-N⁴-methyl-3- thiosemicarbazone(HL) are synthesized and characterized. Various physicochemical techniques are applied for the study of the coordination behavior of the thiosemicarbazone to the nickel center. In all the complexes, thiosemicarbazone is coordinated in the thiolate form. A fou...
Article
In the present paper, a computational study was performed on a planar non-fullerene acceptor (A-D-A) type based on indacenodithiophene (noted IDIC) which is widely used in the fabrication of organic solar cells. The structural and optoelectronic properties were studied using the Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) approa...
Article
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The removal of Methyl parathion (MP) by ultrasound-assisted adsorption using commercial Granular Activated Carbon (GAC) was studied. The effect of sonicate time on the adsorption were studied using the batch technique. The adsorption kinetic data were analyzed using the Pseudo First Order (PFO) and Pseudo Second Order (PSO) models. For kinetic stud...
Article
Three new unsymmetric isatin bishydrazone compounds; Comp. I, II, III, were synthesized by the condensation of 3,5-dichloro-salicylaldehyde, 3-bromo-5-chloro-salicylaldehyde, and 3,5-dibromo-salicylaldehyde with isatin monohydrazone, respectively. The synthesized compounds were characterized by elemental analysis, ¹H-NMR, FT-IR, UV-Vis spectroscopy...
Chapter
Organic and inorganic compounds are widely used as corrosion inhibitors. It is important to mention that most of the inorganic compounds are toxic and non‐environmental friendly; therefore, their current use as corrosion inhibitors is strictly inhibited because of the increasing ecological awareness and strict environmental regulations. Most of the...
Article
The effect of tyrosine (C9H11NO3) as a new stabilizing agent on the composition and conditions of the electroless plating bath of the Ni-P alloy was studied. A comparative study with trisodium citrate, which is commonly used, as a stabilizing complexing agent revealed the effect of tyrosine in this study. Scanning electron microscopy (SEM) and X-Ra...
Preprint
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Five new nickel(II) complexes have been synthesised with an NNO donor tridentate aroylhydrazone (HFPB) employing the chloride, nitrate, acetate and perchlorate salts, and all the complexes were physiochemically characterized. Elemental analyses suggested a deprotonated iminolate form of the ligand in four of the complexes, however in one case ( 2 )...
Article
Metal corrosion is the largest problem in the oil and gas industry. Therefore, providing metallic materials with corrosion protection is an urgent task in modern research. The use of green corrosion inhibitors for corrosion protection is very important both ecologically and economically. This work is the first to introduce a novel bromide–cucurbit[...
Article
The investigation of this study deals with the synthesis using green synthetic approach, characterization and application of benzoxanthones derivative namely 9,9-Dimethyl-12-p-tolyl-8, 9,10, 12-tetrahydrobenzo[a]xanthen-1-one (TBX) for the inhibition of Q235 steel corrosion in 15% HCl under dynamic condition. The results of EIS confirmed towards th...
Article
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The modified electrode–analyte interaction is critical in establishing the sensing mechanism and in developing an electrochemical sensor. Here, the niacin-modified carbon paste electrode (NC/CPE) was fabricated for electrochemical sensing applications. The two stable structures of the niacin were optimized and confirmed by the absence of negative v...