Elektrokimyasal İnceleme ve DFT Yaklaşımı: 2-izopropil-4-metil-1,3-tiyazol-5-karboksilik asidin Yumuşak Çeliğin Korozyonuna Karşı İnhibisyon Etkisi

Year 2022, Volume: 5 Issue: 1, 1 - 12, 30.06.2022

Mehmet Erman Mert , Başak Doğru Mert , Tolga Karazehir

https://doi.org/10.55198/artibilimfen.1115419

Abstract

Bu çalışmada, 2-izopropil-4-metil-1,3-tiyazol-5-karboksilik asidin (2I4MTA5C) asidik ortamda yumuşak çelik korozyonuna karşı inhibitör özellikleri elektrokimyasal ve kuantum teorik yöntemlerle araştırılmıştır. 168 saatlik daldırma sırasında 0,5 M HCl içinde 5 mM 2I4MTA5C varlığında ve yokluğunda elektrokimyasal empedans spektroskopi ölçümleri ve polarizasyon eğrileri elde edildi ve adsorpsiyon izotermi sunuldu. Moleküler yapı ile elektrokimyasal davranış arasında bir ilişki kurmak ve derinlemesine araştırmak için deneysel sonuçlar kuantum teorik parametrelerle karşılaştırıldı. 168 saatlik daldırma süresi için elde edilen sonuçlara göre, MS için direnç değerleri 5 mM 2I4MTA5C yokluğunda 9.8 ve mevcudiyetinde 200 ohm.cm-2 idi. HCl ve 5 mM 2I4MTA5C + HCl solüsyonunda MS için hesaplanan korozyon akımı yoğunluğu değerleri sırasıyla 2.65 ve 0.13 mA.cm-2 idi. Teorik olarak hesaplanan HOMO ve LUMO değerleri -6.88 eV ve -1.80 eV idi. Elde edilen sonuçlara göre 2I4MTA5C'nin yumuşak çelik korozyonuna karşı %95,1 koruma ile uygun bir inhibitör adayı olduğunu söyleyebiliriz

Keywords

Korozyon, Organik İnhibitör, DFT, EIS

Electrochemical Investigation and DFT Approach: The Inhibition Effect of 2-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid Against Mild Steel Corrosion

Abstract

In this study, the inhibitory properties of 2-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid (2I4MTA5C) against mild steel corrosion in acidic medium were investigated by electrochemical and quantum theoretical methods. Electrochemical impedance spectroscopy measurements and polarization curves were obtained in the presence and absence of 5 mM 2I4MTA5C in 0.5 M HCl during 168 hours of immersion, and the adsorption isotherm is presented. Experimental results were compared with quantum theoretical parameters in order to establish a relationship between molecular structure and electrochemical behavior and to investigate it in depth. According to the results obtained for the 168 hour immersion time, the resistance values for MS were 9.8 in the absence of 5 mM 2I4MTA5C and 200 ohm.cm-2 in the presence. The calculated corrosion current density values were 2.65 and 0.13 mA.cm-2 for MS in HCl and 5 mM 2I4MTA5C + HCl solution, respectively. The theoretically calculated HOMO and LUMO values were -6.88 eV and -1.80 eV. According to the results obtained, we can say that 2I4MTA5C is a suitable inhibitor candidate with 95.1% protection against mild steel corrosion.

Keywords

Corrosion, DFT, EIS, Organic inhibitor

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