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

Yıl 2018, Cilt: 30 Sayı: 2, 19 - 25, 19.09.2018

Reşit Yıldız İlyas Dehri

Öz

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.

Anahtar Kelimeler

Korozyon, Yumuşak Çelik, SEM, EIS, Quantum Chemical Calculations

Kaynakça

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