4,4'-Diaminobifenil’in Yumuşak Çeliğin Hidroklorik Asitteki Korozyonuna Karşı İnhibisyon Etkisi Ve Kuantum Hesaplamaları

Bu çalışmada 4,4'-Diaminobifenil’in (4-DB) inhibitör olarak kullanımı araştırılmıştır. Elektrokimyasal teknikler (EIS ve polarizasyon ölçümleri) ve kuantum kimyasal hesaplamalar ((DFT) ile B3LYP/6-311++G (d, p)) uygulanmıştır. Elde edilen sonuçlara göre; 4-DB’nin inhibisyon etkinliği artan konsantrasyon ile artış göstermiştir. Polarizasyon ölçümleri 4-DB’nin anodik reaksiyonların hızını azalttığını göstermektedir. 4-DB’nin inhibisyon etkinliği yüksek HOMO enerjisi (–0,189 eV), dipol momenti (0, 6121 D) ve düşük LUMO enerjisi (-0,019 eV) ile ilişkilendirilmiştir. Adsorpsiyonun Langmuir adsorpsiyon izotermine uyduğu saptanmıştır. Adsorpsiyon standart serbest entalpi (∆G°ads) değeri hesaplanmıştır.

The Inhibition Effect Of 4,4′-Diaminobiphenyl Against The Corrosion Of Mild Steel İn Hcl And The Quantum Calculations

In this study, 4,4′-Diamınobıphenyl (4-DB) is investigated usage of inhibitor molecule. Electrochemical techniques (EIS and polarization measurements) and quantum chemical calculations ((DFT) with the B3LYP/6- 311++G (d, p)) were obtained. The results showed that; inhibition efficiencies increase with increasing concentration of 4-DB. It is found that 4-DB retards anodic reactions according to polarization measurements. The inhibition efficiency of 4-DB is attributed to the high value of EHOMO (–0,189 eV), dipole moment μ (0,6121 D) and low value of ELUMO (-0.019 eV). This inhibitor functions through adsorption following Langmuir isotherm. The value of adsorption free energy of (∆G°ads) was also calculated.

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