Yazar "Gungor, Ceyla" seçeneğine göre listele

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    Öğe
    Analytical study on mild steel corrosion inhibition in acidic environment: DFT modeling and RSM optimization
    (Elsevier Sci Ltd, 2025) Mert, Mehmet Erman; Gungor, Ceyla; Mert, Basak Dogru
    This study investigates the corrosion inhibition potential of various heterocyclic compounds, including 1,3-Thiazole-4-carbothioamide, 4-aminopyrazolo[3,4-d]pyrimidine, pyrimidine-2-thiocarboxamide, 1,2,4-oxadiazole-3carbothioamide, 1H-imidazole-4-carbothioamide, 2-methyl-1,3-thiazole-4-carbothioamide, 4-aminothieno[2,3d]pyrimidine-2-thiol, and 2-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid, selected for their structural characteristics that make them effective in fuel applications. The presence of functional groups such as thiol, amide, carboxylic acid, imidazole, and thiazole in these compounds enhances their ability to adsorb onto metal surfaces, forming protective layers that significantly inhibit corrosion. These compounds were chosen not only for their strong interaction with metal substrates but also for their stability and durability under various environmental conditions, which are important for fuel systems. Density Functional Theory (DFT) calculations were performed to give structural insights, which are essential for understanding the corrosion inhibition mechanism of the examined compounds. The inhibition performance of these molecules were investigated in 0.5 M HCl via electrochemical impedance spectroscopy technique for mild steel (MS) containing various inhibitor concentrations (1;3 and 5 mM) and exposure times (1; 24 and 48 h). Particularly, the higher inhibition efficiency of compounds; 2-methyl-1,3-thiazole-4-carbothioamide and 4-aminothieno[2,3-d]pyrimidine-2-thiol from their structural and electronic properties. The variable inhibition efficiency observed among different compounds investigates the importance of methods Response Surface Methodology (RSM) for systematically analyzing concentration, time, and molecular structure interactions. The experimental results indicated that 2-methyl-1,3thiazole-4-carbothioamide and 4-aminothieno[2,3-d]pyrimidine-2-thiol exhibited significantly higher inhibition efficiency at a concentration of 5 mM and an exposure duration of 48 h, with inhibition efficiencies of 98.96 % and 98.66 % respectively.
  • [ X ]
    Öğe
    Analytical study on mild steel corrosion inhibition in acidic environment: DFT modeling and RSM optimization
    (Elsevier Sci Ltd, 2025) Mert, Mehmet Erman; Gungor, Ceyla; Mert, Basak Dogru
    This study investigates the corrosion inhibition potential of various heterocyclic compounds, including 1,3-Thiazole-4-carbothioamide, 4-aminopyrazolo[3,4-d]pyrimidine, pyrimidine-2-thiocarboxamide, 1,2,4-oxadiazole-3carbothioamide, 1H-imidazole-4-carbothioamide, 2-methyl-1,3-thiazole-4-carbothioamide, 4-aminothieno[2,3d]pyrimidine-2-thiol, and 2-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid, selected for their structural characteristics that make them effective in fuel applications. The presence of functional groups such as thiol, amide, carboxylic acid, imidazole, and thiazole in these compounds enhances their ability to adsorb onto metal surfaces, forming protective layers that significantly inhibit corrosion. These compounds were chosen not only for their strong interaction with metal substrates but also for their stability and durability under various environmental conditions, which are important for fuel systems. Density Functional Theory (DFT) calculations were performed to give structural insights, which are essential for understanding the corrosion inhibition mechanism of the examined compounds. The inhibition performance of these molecules were investigated in 0.5 M HCl via electrochemical impedance spectroscopy technique for mild steel (MS) containing various inhibitor concentrations (1;3 and 5 mM) and exposure times (1; 24 and 48 h). Particularly, the higher inhibition efficiency of compounds; 2-methyl-1,3-thiazole-4-carbothioamide and 4-aminothieno[2,3-d]pyrimidine-2-thiol from their structural and electronic properties. The variable inhibition efficiency observed among different compounds investigates the importance of methods Response Surface Methodology (RSM) for systematically analyzing concentration, time, and molecular structure interactions. The experimental results indicated that 2-methyl-1,3thiazole-4-carbothioamide and 4-aminothieno[2,3-d]pyrimidine-2-thiol exhibited significantly higher inhibition efficiency at a concentration of 5 mM and an exposure duration of 48 h, with inhibition efficiencies of 98.96 % and 98.66 % respectively.
  • [ X ]
    Öğe
    Optimization of hydrogen production via electrocatalysis using NiCoMo-modified electrodes: An RSM approach
    (Taylor & Francis Inc, 2024) Esmerli, Sekip Caner; Gungor, Ceyla; Mert, Mehmet Erman
    The depletion of fossil fuels and the environmental impact of their combustion have increased the demand for sustainable energy alternatives, with hydrogen appearing as an appropriate option due to its clean energy potential. This study focuses on developing a laboratory-scale alkaline electrolysis system for hydrogen production. Platinum, known for its high catalytic activity and durability, was employed as the anode, while graphite was selected as the cathode for its cost-effectiveness. To enhance catalytic performance, the graphite electrodes were modified with nickel-cobalt-molybdenum (NiCoMo) using a galvanostatic method. The electrode voltage and molarity were chosen as independent variables to evaluate their effect on hydrogen production. Using the Design-Expert software, the optimal conditions were identified at 3 V and 1.5 mol/l, yielding 10.67 ml of hydrogen. The coefficient of determination (R2) values 98.81% for R2, 97.96% for adjusted R2, and 91.63% for predicted R2 indicate suitable model accuracy. The error margin between experimental and optimized results was only 1.7%, confirming the reliability of the method. This study highlights the potential of NiCoMo-modified electrodes to enhance hydrogen production efficiency. Future research could explore scaling up the system and integrating it with renewable energy sources, positioning this method as a viable pathway toward sustainable hydrogen production.