Theoretical Investigation of Corrosion Inhibition of Iron Metal by Some Benzothiazole Derivatives: A Monte Carlo Study

Nail ALTUNAY; Savaş KAYA

doi:https://doi.org/10.18596/jotcsa.288244

Makale detayları

Theoretical Investigation of Corrosion Inhibition of Iron Metal by Some Benzothiazole Derivatives: A Monte Carlo Study

Yazarlar:

Nail ALTUNAY | Savaş KAYA

Yayıncı:

Turkish Chemical Society

Ana Başlıklar:

Kimya mühendisliği | Uygulamalı fizik

Dergi:

Journal of the Turkish Chemical Society Section A: Chemistry 2017 Vol.4 Issue 2, pp.573-578

Belge Tipi:

Makale

Yayın Tarihi:

4/2017

Belge Dili:

Türkçe

Document ID (Org No.):

2000503578

Sıklık:

Üç Aylık

eISSN:

2149-0120

DOI:

https://doi.org/10.18596/jotcsa.288244

Özet:

 


It is important to note that atomistic modeling and
simulations are becoming increasingly popular in the field of corrosion
inhibition of metal surfaces. In this work, we investigated the adsorption
properties and corrosion inhibition efficiencies of some benzothiazole
derivatives (ABT, TCHBT, TSCBT) against the corrosion of iron metal using molecular
dynamics simulation approach. It is important to note that adsorption and
binding energies calculated considering adsorption processes on Fe metal surface
of aforementioned inhibitor molecules are in good agreement with experimental
data reported earlier.


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Makale detayları

Theoretical Investigation of Corrosion Inhibition of Iron Metal by Some Benzothiazole Derivatives: A Monte Carlo Study

Yazarlar: Nail ALTUNAY | Savaş KAYA

Yayıncı: Turkish Chemical Society

Ana Başlıklar: Kimya mühendisliği | Uygulamalı fizik

Dergi: Journal of the Turkish Chemical Society Section A: Chemistry 2017 Vol.4 Issue 2, pp.573-578

Belge Tipi: Makale

Yayın Tarihi: 4/2017

Belge Dili: Türkçe

Document ID (Org No.): 2000503578

Sıklık: Üç Aylık

eISSN: 2149-0120

DOI: https://doi.org/10.18596/jotcsa.288244

Sayı

Yazarlar:

Nail ALTUNAY | Savaş KAYA

Yayıncı:

Turkish Chemical Society

Ana Başlıklar:

Kimya mühendisliği | Uygulamalı fizik

Dergi:

Journal of the Turkish Chemical Society Section A: Chemistry 2017 Vol.4 Issue 2, pp.573-578

Belge Tipi:

Makale

Yayın Tarihi:

4/2017

Belge Dili:

Türkçe

Document ID (Org No.):

2000503578

Sıklık:

Üç Aylık

eISSN:

2149-0120

DOI:

https://doi.org/10.18596/jotcsa.288244