Anti-corrosion Properties of 2-Phenyl-4(3H)-quinazolinone-Substituted Compounds: Electrochemical, Quantum Chemical, Monte Carlo, and Molecular Dynamic Simulation Investigation
Tóm tắt
Từ khóa
Tài liệu tham khảo
El Kacimi Y et al (2016) Effect of silicon and phosphorus contents in steel on its corrosion inhibition in 5 M HCl solution in the presence of Cetyltrimethylammonium/KI. J Mater Environ Sci 7(1):371–381
Ebenso EE (2001) Inhibition of corrosion of mild steel hydrochloric acid by some azo dyes. Niger J Chem Res 6(1):8–12
Elkacimi Y et al (2012) Inhibition of mild steel corrosion by some phenyltetrazole substituted compounds in hydrochloric acid. Port Electrochim Acta 30(1):53–65. https://doi.org/10.4152/pea.201201053
Elacimi Y et al (2017) Corrosion inhibition studies for mild steel in 5.0 M HCl by substituted phenyltetrazole. Euro-Mediterr J Environ Integr 2(1):1–11. https://doi.org/10.1007/s41207-016-0011-8
Noor EA, Al-Moubaraki AH (2008) Corrosion behavior of mild steel in hydrochloric acid solutions. Int J Electrochem Sci 3:806–818
Thomas JGN (1981) In: 5th European Symposium on Corrosion Inhibitors 1980. Annali dell'universita' di ferrara, Italy
Galai M et al (2017) Characterization and anti-corrosion properties of novel quinolinol on C-steel in a molar hydrochloric acid solution. Port Electrochim Acta 35(4):233–251. https://doi.org/10.4152/pea.201704233
Elattar K-M et al (2015) Advances in 1,2,4-triazepines chemistry. RSC Adv 5:106710–106753. https://doi.org/10.1039/C5RA21108E
Rbaa M et al (2019) Electrochemical and theoretical evaluation of some quinoline derivatives as corrosion inhibitors of mild steel in acidic medium. Anal Bioanal Electrochem 11(7):969–984
ASTM Practice Standard G-31 (2004) Standard Practice for laboratory immersion corrosion testing of metals. ASTM International, West Conshohocken
Galai M et al (2017) Synthesis, characterization and anti-corrosion properties of novel quinolinol on C-steel in a molar hydrochloric acid solution. Port Electroch Acta 35:233
Stern M, Geary A-L (1957) Electrochemical polarization I. A theoretical analysis of the shape of polarization curves. J Electrochem Soc 104:56–63
Obot I-B, Obi-Egbedi N-O (2010) Acenaphtho [1,2-b] quinoxaline as a novel corrosion inhibitor for mild steel in 0.5 M H2SO4. Corros Sci 52:923–926
el Salarvand Z, al. (2017) Enhanced corrosion resistance of mild steel in 1 M HCl solution by trace amount of 2-phenyl-benzothiazole derivatives: experimental, quantum chemical calculations and molecular dynamics simulation studies. Corros Sci 114:133–145
el Obot I-B, al. (2013) Experimental, quantum chemical calculations, and molecular dynamic simulations insight into the corrosion inhibition properties of 2-(6-methylpyridin-2-yl) oxazolo [5, 4-f][1, 10] phenanthroline on mild steel. Res Chem Intermed 39:1927–1948
el Fouda A-S, al. (2017) Evaluation of 4-amidinophenyl-2,2′-bithiophene and its aza-analogue as novel corrosion inhibitors for CS in acidic media: experimental and theoretical study. J Mol Liq 240:372–388. https://doi.org/10.1016/j.molliq.2017.05.089
Fouda A-S et al (8092a) Experimental and theoretical studies on corrosion inhibition of 4-amidinophenyl-2,2′-bifuran and its analogues in acidic media. RSC Adv 7:46414–46430. https://doi.org/10.1039/c7ra08092a
Sun H et al (1998) The COMPASS force field: parameterization and validation for phosphazenes. Comput Theor Polym Sci 8:229–246
Koopmans T (1993) Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms. Physica 1:104–113
Yang W et al (1985) Molecular softness as the average of atomic softnesses: companion principle to the geometric mean principle for electronegativity equalization. J Phys Chem 89:5412–5414
Yang W, Parr RG (1985) Hardness, softness, and the fukui function in the electronic theory of metals and catalysis. Proc Natl Acad Sci USA 82:6723–6726
Ateya B-G et al (1976) Thiosemicarbazide as inhibitor for acid corrosion of iron 16:163–169
Rbaa M, Errahmany N, El Kacimi Y, Galai M, El Faydy M, Lakhrissi Y, Ebn Touhami M, Lakhrissi B (2018) Chemical and electrochemical studies of novel quinazolinone derivatives based on 8-hydroxyquinoline as corrosion inhibitor for mild steel in 1.0 M HCl solution. Anal Bioanal Electrochem 10(10):1328–1354
Khan G, Basirun WJ, Bin AB, Badry M, Kazi SN, Ahmed P, Ahmed SM, Khan GM (2018) Corrosion inhibition performance and adsorption mechanism of novel quinazoline schiff base on low alloy steel in HCl media. Int J Electrochem Sci 13:12420–12436. https://doi.org/10.12964/2018.12.40
Fouda AS, El-desoky AM, Hassan HM (2013) Quinazoline derivatives as green corrosion inhibitors for carbon steel in hydrochloric acid solutions. Int J Electrochem Sci 8:5866–5885
Ayati NS, Khandandel S, Momeni M, Moayed MH, Davoodi A, Rahimizadeh M (2011) Inhibitive effect of synthesized 2-(3-pyridyl)-3,4-dihydro-4-quinazolinone as a corrosion inhibitor for mild steel in hydrochloric acid. Mater Chem Phys 126:873–879
Jamil DM, Al-Okbi AK, Al-Baghdadi SB, Al-Amiery AA, Kadhim A, Gaaz TS, Kadhum AAH, Mohamad AB (2018) Experimental and theoretical studies of Schiff bases as corrosion inhibitors. Chem Cent J 12:7. https://doi.org/10.1186/s13065-018-0376-7
Alaoui K et al (2016) Anti-corrosive properties of polyvinyl-alcohol for carbon steel in Hydrochloric acid media: electrochemical and thermodynamic investigation. J Mater Environ Sci 7:2389–2403
Alaoui K et al (2018) Electrochemical and computational studies of some triazepines carboxylate compounds as acid corrosion inhibitors for mild steel. J Bio- Tribo-Corros 4(37):1–18
Abboud Y et al (2007) Corrosion inhibition of carbon steel in acidic media by bifurcaria bifurcata extract. Mater Chem Phys 105:1–5
Bentiss F et al (2009) Corrosion control of mild steel using 3,5-bis(4-methoxyphenyl)-4-amino-1,2,4-triazole in normal hydrochloric acid medium. Corros Sci 51:1628–1635
Hassan H-H et al (2007) Inhibition of mild steel corrosion in hydrochloric acid solution by triazole derivatives: Part I. Polarization and EIS studies. Electrochim Acta 52:6359–6366
Aksüt A-A et al (1982) The determination of corrosion rates by electrochemical d.c. and a.c. methods—II. Systems with discontinuous steady state polarization behavior. Corros Sci 22:611–619
Trethewey K-R et al (1995) Corrosion for science and engineering, 2nd edn. Edinburgh Gate Harlow, Essex
Behpour M et al (2008) Electrochemical and theoretical investigation on the corrosion inhibition of mild steel by thiosalicylaldehyde derivatives in hydrochloric acid solution. Corros Sci 50:2172–2181
Solmaz R (2010) Investigation of the inhibition effect of 5-((E)-4-phenylbuta-1,3-dienylideneamino)-1,3,4-thiadiazole-2-thiol Schiff base on mild steel corrosion in hydrochloric acid. Corros Sci 52:3321–3330
Lopez DA et al (2003) The influence of steel microstructure on CO2 corrosion. EIS studies on the inhibition efficiency of benzimidazole. Electrochim Acta 48:845–854
El Kacimi Y et al (2018) Surface morphology studies and kinetic-thermodynamic characterization of steels treated in 5.0 M HCl medium: hot-dip galvanizing application. Anti-Corros Methods Mater 65:176–189
Zheng X et al (2014) Investigation of 1-butyl-3-methyl-1H-benzimidazolium iodide as inhibitor for mild steel in sulfuric acid solution. Corros Sci 80:383–392
Bentiss F et al (2012) Improvement of corrosion resistance of carbon steel in hydrochloric acid medium by 3,6-bis(3-Pyridyl)Pyridazine. Int J Electrochem Sci 7:1699–1723
Alaoui K et al (2016) Poly (1-phenylethene): as a novel corrosion inhibitor for carbon steel / hydrochloric acid interface. Anal Bioanal Electrochem 8:830–847
Hassan H-H (2006) Perchlorate and oxygen reduction during Zn corrosion in a neutral medium. Electrochim Acta 51:5966–5972
Ateya B-G et al (1976) Thiosemicarbazide as an inhibitor for the acid corrosion of iron. Corros Sci 16:163–169
Gong Y, Wang Z, Gao F, Zhang S, Li H (2015) Synthesis of new benzotriazole derivatives containing carbon chains as the corrosion inhibitors for copper in sodium chloride solution. Ind Eng Chem Res 54:12242–12253
Gece G (2008) The use of quantum chemical methods in corrosion inhibitor studies. Corros Sci 50:2981–2992
Kokalj A (2010) Is the analysis of molecular electronic structure of corrosion inhibitors sufficient to predict the trend of their inhibition performance. Electrochim Acta 56:745–755
Guo L, Zhu S, Zhang S, He Q, Li W (2014) Theoretical studies of three triazole derivatives as corrosion inhibitors for mild steel in acidic medium. Corros Sci 87:366–375
Kaya S, Kaya C (2015) A new equation for calculation of chemical hardness of groups and molecules. Mol Phys 113:1311–1319
Kaya S, Kaya C (2015) A new method for calculation of molecular hardness: a theoretical study. Theor Chem 1060:66–70
Pearson R-G (1987) Recent advances in the concept of hard and soft acids and bases. J Chem Edu 64:561–567
Kaya S et al. (2016) J Taiwan Inst Chem Eng 0 0 0:1–8.
Durnie W et al (1999) Development of a structure—activity relationship for oil field corrosion inhibitors. J Electrochem Soc 146:1751–1756
ElBelghiti M, Karzazi Y, Dafali A, Hammouti B, Bentiss F, Obot IB, Bahadur I, Ebenso EE (2016) Experimental, quantum chemical and Monte Carlo simulation studies of 3,5-disubstituted-4-amino-1,2,4-triazoles as corrosion inhibitors on mild steel in acidic medium. J Mol Liq 218:281–293
Sun H, Ren P, Fried JR (1998) The compass force field: parameterization and validation for phosphazenes. Comput Theor Polym Sci 8:229
Sasikumar Y, Adekunle AS, Olasunkanmi LO, Bahadur I, Baskar R, Kabanda MM, Obot IB, Ebenso EE (2015) Experimental, quantum chemical and Monte Carlo simulation studies on the corrosion inhibition of some alkyl imidazolium ionic liquids containing tetrafluoroborate anion on mild steel in acidic medium. J Mol Liq 211:105