A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron
Yazarlar (6)
Öğr. Gör. Dr. Şaban ERDOĞAN
Dumlupınar Üniversitesi, Türkiye
Zaki S Safi
Al-Azhar University Of Gaza, Filistin
Savaş Kaya
Cumhuriyet Üniversitesi, Türkiye
Dilara Özbakır Işın
Cumhuriyet Üniversitesi, Türkiye
Lei Guo
Tongren University, Çin
Cemal Kaya
Cumhuriyet Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 04-2017 |
| Cilt / Sayı / Sayfa | 1134 / 1 / 751–761 | DOI | 10.1016/j.molstruc.2017.01.037 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S002228601730056X | ||
| Özet |
| In this computational study, the adsorption and corrosion inhibition properties of some novel quinoline derivatives namely, 2-amino-7-hydroxy-4-phenyl-1,4-dihydroquinoline-3-carbonitrile (Q1), 2-amino-7-hydroxy-4-(p-tolyl)-1,4-dihydroquinoline-3-carbonitrile (Q2), 2-amino-7-hydroxy-4-(4-methoxyphenyl)-1,4-dihydroquinoline-3-carbonitrile) (Q3) and 2-amino-4-(4-(dimethylamino)phenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile (Q4) on the corrosion of iron were investigated using quantum chemical and molecular dynamics simulation approaches. Quantum chemical calculations section of the study provides enough calculation and discussion on the relationship between corrosion inhibition and global reactivity descriptors such as E |
| Anahtar Kelimeler |
| A computational study | Corrosion inhibitors | Density functional theory | Molecular dynamics simulation approach | Novel quinoline derivatives | Quantum chemical calculations |
Science Direct
A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 267 |
| SCOPUS | 306 |
| Google Scholar | 345 |