The inhibitive effect of some tetrazole derivatives towards Al corrosion in acid solution: Chemical, electrochemical and theoretical studies

Khaled, K.F.; Al-qahtani, Mohsen

doi:10.1016/j.matchemphys.2008.07.060

Cited by 292 publications

(115 citation statements)

References 37 publications

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“…It is observed that the impedance of API 5L X-52 steel increases with increase in the concentration of inhibitor in 2 M HCl. The diagram shows one capacitive loop corresponding to the charge transfer reaction which is dependent on either electron transfer at the metal surface or on the electron conduction through the surface film [9]. The change in concentration of Levofloxacin did not alter the shape of the impedance behaviour suggesting similar mechanism for the corrosion inhibition of API 5L X-52 steel by Levofloxacin at various concentrations.…”

Section: Electrochemical Impedance Spectroscopy (Eis)mentioning

confidence: 94%

Electrochemical Impedance Spectroscopy and Gravimetric Study of the Corrosion Inhibition of API 5L X-52 steel in HCl Medium by Levofloxacin

2017

IJSR

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Levofloxacin has been tested as corrosion inhibitor for API 5L X-52 steel in 2 M HCl solution using electrochemical impedance spectroscopy (EIS) and gravimetric techniques. The results obtained show an increase in inhibition efficiency and decrease in corrosion rate with increasing concentration of levofloxacin. The kinetic studies of the data followed a first order reaction. The adsorption of the inhibitor was found to be spontaneous and consistent with the assumption of Langmuir adsorption isotherm.

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Section: Electrochemical Impedance Spectroscopy (Eis)mentioning

confidence: 94%

Electrochemical Impedance Spectroscopy and Gravimetric Study of the Corrosion Inhibition of API 5L X-52 steel in HCl Medium by Levofloxacin

2017

IJSR

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“…Beberapa kajian teoritis kimia kuantum telah dilakukan dan diperoleh hasil yang cepat dan akurat sesuai dengan hasil eksperimen (16)(17)(18)(19)(20)(21)(22). Obayes [23] mengunakan teori fungsional kerapatan pada tingkatan teori B3LYP/6-31G++(d,p) untuk membandingkan hasil kajian teoritis dengan hasil eksperimen terhadap tiga senyawa benzimidazol, 2-metilbenzimidazol dan 2-merkaptobenzimidazol sebagai anti korosi.…”

Section: Pendahuluanunclassified

Optimasi Sifat Inhibitor Korosi Senyawa Thiaamida-Pirazolindol Berdasarkan Teori Fungsional Kerapatan

Hamdiani¹,

Arduha²,

Purwoko³

et al. 2016

J. Pijar MIPA

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Abstrak. Sifat inhibitor korosi senyawa turunan thiaamida-pirazolindol (TP) telah dikaji menggunakan teori fungsional kerapatan pada tingkatan teori B3LYP/6-31G(d). Pengaruh gugus substitusi pendonor dan penarik elektron (NH2, SH, CHCH2, CH3, OH, CHO, COOH, F, NO2) terhadap efisiensi anti korosi senyawa thiaamidapirazolindol juga dihitung. Parameter kuantum untuk senyawa anti korosi seperti energi orbital (EHOMO dan ELUMO), potensial ionisasi (I), afinitas elektron (A) dan elektronegativitas (χ) memiliki hubungan yang linier dengan efisiensi anti korosi (IE%) senyawa turunan thiaamida-pirazolindol. Gugus pendonor elektron meningkatkan nilai IE%. Urutan kenaikan IE% adalah NO2 < CHO < COOH < F < CHCH2 < OH < CH3 < NH2. Penambahan gugus pendonor elektron amina (NH2) meningkatkan IE% hingga 98,76 % dibandingkan IE% thiaamida-pirazolindol murni 90,80 %. Penambahan gugus penarik elektron menurunkan IE% hingga mencapai 82,82 %. Kajian teoritis ini akan berkontribusi besar dalam mendesain dan sintesis senyawa inhibitor organik dengan efisiensi inhibitor tinggi.Kata kunci: inhibitor korosi, teori fungsional kerapatan, thiaamida-pirazolindol Abstract. Corrosion inhibitor properties of thiamide pyrazolindole and its derivatives has been elucidated by means of density functional theory (DFT) at B3LYP/6-31G(d) level of theory. Effect of electron donating and withdrawing groups such as NH2, SH, CHCH2, CH3, OH, CHO, COOH, F and NO2 on the corrosion inhibitor of thiamide pyrazolindole derivatives also have been studied. The quantum chemical parameters such as the frontier orbital energies (EHOMO), ionization potential (I), electron affinity (A) and electronegativity (χ) are closely related to the corrosion inhibition efficiency (IE%) of thiamide pyrazolindole derivatives. The presence of electron donating groups increases IE% values meanwhile electron withdrawing groups reduce IE% values. The enhancement of IE% follows NO2 < CHO < COOH < SH < F < CH3 < CHCH2 < OH < NH2. Electron donating NH2 group gives 98,76 % of IE%, pure thiamide pyrazolindol IE% = 90,80 %. In contrast, electron withdrawing NO2 group gives IE% only 82,82 %. This theoretical study would have a significant contribution in designing high-efficiency organic corrosion inhibitors.

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“…Akurasi hasil kajian teoritis cukup baik jika dibandingkan dnegan hasil kajian eksperimen (Obot and Obi-Egbedi, 2010;Sayo's et al, 1986;Li et al, 1999;Liu et al, 2011;Khaled and Al-Qahtani, 2009;Mwadham et al, 2013). Obayes et al (2014) mengunakan teori fungsional kerapatan pada tingkatan teori B3LYP/6-31G++ (d,p) untuk membandingkan hasil kajian teoritis dengan hasil eksperimen terhadap tiga senyawa benzimidazol, 2-metilbenzimidazol dan 2-merkaptobenzimidazol sebagai anti korosi.…”

Section: Pendahuluanunclassified

Theoretical Study on Corrosion Inhibition Properties of 2-Isopropyl-5-Methylphenol

Hadisaputra¹,

Hamdiani²,

Junaidi³

2016

ALCHEMY J.Pen.Kim

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Corrosion inhibitors of 2-isopropyl-5-methylphenol and its derivatives has been elucidated by means of density functional theory at B3LYP/6-31G(d) level of theory. Effect of electron donating and withdrawing groups such as NH2, SH, CHCH2, CH3, OH, CHO, COOH, F and NO2 on the corrosion inhibitor of 2-isopropyl-5-methylphenol derivatives also have been studied. The quantum chemical parameters such as the frontier orbital energies (EHOMO), ionization potential (I), electron affinity (A) and electronegativity (χ) are closely related to the corrosion inhibition efficiency (IE %) of 2-isopropyl-5-methylphenol derivatives. The presence of electron donating groups increase IE % values meanwhile electron with drawing groups reduce IE % values. The enhancement of IE % follows NO2 < CHO < COOH < SH < F < CH3 < CHCH2 < OH < NH2. Electron donating NH2 group gives 96.38 % of IE %, pure 2-isopropyl-5-methylphenol IE % = 82.70 %. In contrast, electron withdrawing NO2 group gives IE % only 68.66 %. This theoretical study would have a significantly contribution for accelerating corrosion inhibitor experimental to gain optimum results.

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The inhibitive effect of some tetrazole derivatives towards Al corrosion in acid solution: Chemical, electrochemical and theoretical studies

Cited by 292 publications

References 37 publications

Electrochemical Impedance Spectroscopy and Gravimetric Study of the Corrosion Inhibition of API 5L X-52 steel in HCl Medium by Levofloxacin

Electrochemical Impedance Spectroscopy and Gravimetric Study of the Corrosion Inhibition of API 5L X-52 steel in HCl Medium by Levofloxacin

Optimasi Sifat Inhibitor Korosi Senyawa Thiaamida-Pirazolindol Berdasarkan Teori Fungsional Kerapatan

Theoretical Study on Corrosion Inhibition Properties of 2-Isopropyl-5-Methylphenol

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