Nghiên cứu động lực học phân tử về ba axit amin như chất ức chế ăn mòn cho đồng trong dung dịch hydrochloric acid

Qiang YJ, Zhang ST, Xu SY, Li WP (2016) Experimental and theoretical studies on the corrosion inhibition of copper by two indazole derivatives in 3.0% NaCl solution. J Colloid Interface Sci 472:52–59 Song P, Shen S, Li CC, Guo XY, Wen Y, Yang HF (2015) Insight in layer-by-layer assembly of cysteamine and L-cysteine on the copper surface by electrochemistry and Raman spectroscopy. Appl Surf Sci 328:86–94 Obot IB, Meroufel A, Onyeachu IB, Alenazi A, Sorour AA (2019) Corrosion inhibitors for acid cleaning of desalination heat exchangers: Progress, challenges and future perspectives. J Mol Liq 296:14 Sudheer MA (2013) Quraishi, Electrochemical and theoretical investigation of triazole derivatives on corrosion inhibition behavior of copper in hydrochloric acid medium. Corros Sci 70:161–169 Fouda A, Etaiw S, El-bendary MM, Maher MM (2016) Metal-organic frameworks based on silver (I) and nitrogen donors as new corrosion inhibitors for copper in HCl solution. J Mol Liq 213:228–234 Qiang YJ, Zhang ST, Guo L, Zheng XW, Xiang B, Chen SJ (2017) Experimental and theoretical studies of four allyl imidazolium-based ionic liquids as green inhibitors for copper corrosion in sulfuric acid. Corros Sci 119:68–78 Hegazy MA, Badawi AM, Abd El Rehim SS, Kamel WM (2013) Corrosion inhibition of carbon steel using novel N-(2-(2-mercaptoacetoxy)ethyl)-N, N-dimethyl dodecan-1-aminium bromide during acid pickling. Corros Sci 69:110–122 Singh P, Chauhan DS, Chauhan SS, Singh G, Quraishi MA (2019) Chemically modified expired Dapsone drug as environmentally benign corrosion inhibitor for mild steel in sulphuric acid useful for industrial pickling process. J Mol Liq 286:110903 Winkler DA, Breedon M, White P, Hughes AE, Sapper ED, Cole I (2016) Using high throughput experimental data and in silico models to discover alternatives to toxic chromate corrosion inhibitors. Corros Sci 106:229–235 Kang QX, Wang Y, Zhang XY (2019) Experimental and theoretical investigation on calcium oxide and L-aspartic as an effective hybrid inhibitor for aluminum-air batteries. J Alloys Compd 774:1069–1080 Mendonca GLF, Costa SN, Freire VN, Casciano PNS, Correia AN, de Lima-Neto P (2017) Understanding the corrosion inhibition of carbon steel and copper in sulphuric acid medium by amino acids using electrochemical techniques allied to molecular modelling methods. Corros Sci 115:41–55 El Ibrahimi B, Jmiai A, Bazzi L, El Issami S (2020) Amino acids and their derivatives as corrosion inhibitors for metals and alloys. Arabian J Chem 13:740–771 Zhao HX, Zhang XH, Ji L, Hu HX, Li QS (2014) Quantitative structure-activity relationship model for amino acids as corrosion inhibitors based on the support vector machine and molecular design. Corros Sci 83:261–271 Messali M, Larouj M, Lgaz H, Rezki N, Al-Blewi FF, Aouad MR, Chaouiki A, Salghi R, Chung I-M (2018) A new schiff base derivative as an effective corrosion inhibitor for mild steel in acidic media: Experimental and computer simulations studies. J Mol Struct 1168:39–48 Ech-chihbi E, Nahle A, Salim R, Benhiba F, Moussaif A, El-Hajjaji F, Oudda H, Guenbour A, Taleb M, Warad I, Zarrouk A (2020) Computational, MD simulation, SEM/EDX and experimental studies for understanding adsorption of benzimidazole derivatives as corrosion inhibitors in 1.0 M HCl solution. J Alloys Compd 844:155842 El-Hajjaji F, Messali M, Aljuhani A, Aouad MR, Hammouti B, Belghiti ME, Chauhan DS, Quraishi MA (2018) Pyridazinium-based ionic liquids as novel and green corrosion inhibitors of carbon steel in acid medium: Electrochemical and molecular dynamics simulation studies. J Mol Liq 249:997–1008 Chen X, Chen Y, Cui J, Li Y, Liang Y, Cao G (2021) Molecular dynamics simulation and DFT calculation of “green” scale and corrosion inhibitor. Comp Mater Sci 188:110229 Zhang D-Q, Xie B, Gao L-X, Cai Q-R, Joo HG, Lee KY (2011) Intramolecular synergistic effect of glutamic acid, cysteine and glycine against copper corrosion in hydrochloric acid solution. Thin Solid Films 520:356–361 He J, Li Q, Li X, An J, Chen G, Zhao L, Li W (2020) Insight into the anti-corrosion mechanism of 2-aminobenzenethiol as the inhibitor for copper in acid environment. J Mol Liq 320:114494 Verma C, Quraishi MA, Ebenso EE (2020) Quinoline and its derivatives as corrosion inhibitors: A review. Surf Interfaces 21:100634 Zhang XY, Kang QX, Wang Y (2018) Theoretical study of N-thiazolyl-2-cyanoacetamide derivatives as corrosion inhibitor for aluminum in alkaline environments. Comput Theor Chem 1131:25–32 Sun H (1998) COMPASS: An ab initio force-field optimized for condensed-phase applications - Overview with details on alkane and benzene compounds. J Phys Chem B 102:7338–7364 Andersen HC (1980) Molecular dynamics simulations at constant pressure and/or temperature. J Chem Phys 72:2384–2393 Wang Y, Li MY, Zhu F, Dong WT, Zhang XY, Sun LL (2020) Pitting corrosion mechanism of Cl– and S2–induced by oxide inclusions in Fe-based amorphous metallic coatings. Surf Coat Technol 385:13 Kang QX, Zhang TY, Wang X, Wang Y, Zhang XY (2019) Effect of cerium acetate and L-glutamic acid as hybrid electrolyte additives on the performance of Al-air battery. J Power Sources 443:10 Chafiq M, Chaouiki A, Albayati MR, Lgaz H, Salghi R, AbdelRaheem SK, Ali IH, Mohamed SK, Chung I-M (2020) Unveiled understanding on corrosion inhibition mechanisms of hydrazone derivatives based on naproxen for mild steel in HCl: A joint experimental/theoretical study. J Mol Liq 320:114442 Guo L, Zhang RL, Tan BC, Li WP, Liu HY, Wu SZ (2020) Locust Bean Gum as a green and novel corrosion inhibitor for Q235 steel in 0.5 M H2SO4 medium. J Mol Liq 310:12 El-Deab MS (2011) Interaction of cysteine and copper ions on the surface of iron: EIS, polarization and XPS study. Mater Chem Phys 129:223–227 Amin MA, Khaled KF, Mohsen Q, Arida HA (2010) A study of the inhibition of iron corrosion in HCl solutions by some amino acids. Corros Sci 52:1684–1695 Wang D, Gao L, Zhang D, Yang D, Wang H, Lin T (2016) Experimental and theoretical investigation on corrosion inhibition of AA5052 aluminium alloy by L-cysteine in alkaline solution. Mater Chem Phys 169:142–151 Chaouiki A, Chafiq M, Rbaa M, Salghi R, Lakhrissi B, Ali IH, Bashir S, Chung I-M (2020) Comprehensive assessment of corrosion inhibition mechanisms of novel benzimidazole compounds for mild steel in HCl: An experimental and theoretical investigation. J Mol Liq 320:114383 Kumar D, Jain N, Jain V, Rai B (2020) Amino acids as copper corrosion inhibitors: A density functional theory approach. Appl Surf Sci 514:145905 Belakhdar A, Ferkous H, Djellali S, Sahraoui R, Lahbib H, Amor YB, Erto A, Balsamo M, Benguerba Y (2020) Computational and experimental studies on the efficiency of Rosmarinus officinalis polyphenols as green corrosion inhibitors for XC48 steel in acidic medium. Colloids Surf A 606:125458 Boulechfar C, Ferkous H, Djellali S, Amin MA, Boufas S, Djedouani A, Delimi A, Ben Amor Y, Kumar Yadav K, Jeon B-H, Benguerba Y (2021) DFT/molecular scale, MD simulation and assessment of the eco-friendly anti-corrosion performance of a novel Schiff base on XC38 carbon steel in acidic medium. J Mol Liq 344:117874 Ferkous H, Djellali S, Sahraoui R, Benguerba Y, Behloul H, Çukurovali A (2020) Corrosion inhibition of mild steel by 2-(2-methoxybenzylidene) hydrazine-1-carbothioamide in hydrochloric acid solution: Experimental measurements and quantum chemical calculations. J Mol Liq 307:112957 Meriem Z, Hana F, Souad D, Abderrazak B, Amin MA, Leila R, Belakhdar A, Jeon B-H, Boulechfar C, Benguerba Y (2021) Experimental and theoretical evaluation of the adsorption process of some polyphenols and their corrosion inhibitory properties on mild steel in acidic media. J Environ Chem Eng 9:106482 Zeng J, Zhang J, Gong X (2011) Molecular dynamics simulation of interaction between benzotriazoles and cuprous oxide crystal. Comput Theor Chem 963:110–114 Guo L, Kaya S, Obot IB, Zheng X, Qiang Y (2017) Toward understanding the anticorrosive mechanism of some thiourea derivatives for carbon steel corrosion: A combined DFT and molecular dynamics investigation. J Colloid Interface Sci 506:478–485 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 Crundwell FK (1992) The anodic-dissolution of copper in hydrochloric-acid solutions. Electrochim Acta 37:2707–2714 Singh A, Ansari KR, Chauhan DS, Quraishi MA, Lgaz H, Chung IM (2020) Comprehensive investigation of steel corrosion inhibition at macro/micro level by ecofriendly green corrosion inhibitor in 15% HCl medium. J Colloid Interface Sci 560:225–236 Hu SQ, Guo AL, Yan YG, Jia XL, Geng YF, Guo WY (2011) Computer simulation of diffusion of corrosive particle in corrosion inhibitor membrane. Comput Theor Chem 964:176–181 Huang IW, Hurley BL, Yang F, Buchheit RG (2016) Dependence on Temperature, pH, and Cl- in the Uniform Corrosion of Aluminum Alloys 2024–T3, 6061–T6, and 7075–T6. Electrochim Acta 199:242–253 Sun C, Zeng HB, Luo JL (2019) Unraveling the effects of CO2 and H2S on the corrosion behavior of electroless Ni-P coating in CO2/H2S/Cl- environments at high temperature and high pressure. Corros Sci 148:317–330 Zhang Z, Tian N, Li X, Zhang L, Wu L, Huang Y (2015) Synergistic inhibition behavior between indigo carmine and cetyl trimethyl ammonium bromide on carbon steel corroded in a 0.5 M HCl solution. Appl Surf Sci 357:845–855 Obot IB, Macdonald DD, Gasem ZM (2015) Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview. Corros Sci 99:1–30 Verma C, Lgaz H, Verma DK, Ebenso EE, Bahadur I, Quraishi MA (2018) Molecular dynamics and Monte Carlo simulations as powerful tools for study of interfacial adsorption behavior of corrosion inhibitors in aqueous phase: A review. J Mol Liq 260:99–120