Probing molecular adsorption/interactions and anti-corrosion performance of poppy extract in acidic environments

被引:83
作者
Majd, Mehdi Tabatabaei [1 ]
Ramezanzadeh, Mohammad [2 ]
Bahlakeh, Ghasem [3 ]
Ramezanzadeh, Bahram [2 ]
机构
[1] Tarbiat Modares Univ, Fac Engn, Dept Mat Engn, POB 14115-143, Tehran, Iran
[2] Inst Color Sci & Technol, Dept Surface Coatings & Corros, PO 16765-654, Tehran, Iran
[3] Golestan Univ, Fac Engn, Dept Chem Engn, Aliabad Katoul, Iran
关键词
Computer modeling; Green inhibitor; Papaver somniferum; EIS; Potentiodynamic polarization; SEM/FT-IR; GREEN CORROSION-INHIBITORS; QUANTUM-CHEMICAL CALCULATIONS; MILD-STEEL CORROSION; CARBON-STEEL; ADSORPTION BEHAVIOR; PICKLING PROCESSES; ETHANOL EXTRACTS; STAINLESS-STEEL; SULFURIC-ACID; IONIC LIQUID;
D O I
10.1016/j.molliq.2020.112750
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In recent years, environmental regulations have forced the researchers to gradually replace the traditional toxic inhibitors with the green/sustainable products based on the plant sources, ion liquids, and biopolymers (such as alginate, chitosan, and Polydopamine). Application of the green inhibitors based on the extracts of the plants in the acidic solution has been found to be the most feasible and cost-effective way for the metals corrosion mitigation. However, most of the plant-based inhibitors are not as efficient as the synthetic inhibitors like bio-polymers due to the presence of so many in-active components in their extracts. Here, we introduce the most powerful plant-based inhibitors extracted from the Papaver somniferum leaves/stems (called poppy) which are rich in some well-known bio-active medicines such as codeine, morphine, noscapine, oripavine, papaverine, thebaine which are full of Nitrogen-based functionalities. This study aims at studying the impact of Papaver somniferum (known as poppy) leaves and stems extract (PSLSE) addition to the 1 M HCl solution in which the mild steel is immersed. Surface characterizations including FE-SEM, EDX, AFM, CA measurements, FT-IR,(1) GIXRD,(2) UV-Vis(3) spectroscopy were carried out. The inhibition potent of the extract was reviewed by EIS4 and PDS.(5) Moreover, to explore the adsorption action of the poppy extract on the metal surface, the theoretical simulations based on the Monte Carlo (MC), molecular dynamics (MD) and density functional theory (DFT) were done. Surface characterizations proved the inhibitor adsorption on the metallic surface beside the formation of protective complexes such as ternary iron cyanide. EIS investigations indicated the excellent protection provided by PSLSE addition. The magnificent inhibition of around 97.64% was reached in the 600 ppm and 1000 ppm PSLSE samples. A mixed-type action with a dominant performance on the cathodic inhibition was observed. The simulation studies supported the successful interfacial adsorption of inhibitive compounds over the surface. (C) 2020 Elsevier B.V. All rights reserved.
引用
收藏
页数:15
相关论文
共 91 条
[1]   Effects of carboxylate-modified, "Green" inulin Biopolymers on the crystal growth of calcium oxalate [J].
Akin, Bora ;
Oner, Mualla ;
Bayram, Yasemin ;
Demadis, Konstantinos D. .
CRYSTAL GROWTH & DESIGN, 2008, 8 (06) :1997-2005
[2]  
[Anonymous], MAT RES EXPRESS
[3]  
Asmara Y.P., 2018, Indones. J. Sci. Technol., V3, P158, DOI [10.17509/ijost.v3i2.12760, DOI 10.17509/IJOST.V3I2.12760]
[4]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[5]   An octahedral coordination complex of iron(VI) [J].
Berry, John F. ;
Bill, Eckhard ;
Bothe, Eberhard ;
George, Serena DeBeer ;
Mienert, Bernd ;
Neese, Frank ;
Wieghardt, Karl .
SCIENCE, 2006, 312 (5782) :1937-1941
[6]   Experimental and theoretical studies of xanthan gum and its graft co-polymer as corrosion inhibitor for mild steel in 15% HCl [J].
Biswas, Amrita ;
Pal, Sagar ;
Udayabhanu, G. .
APPLIED SURFACE SCIENCE, 2015, 353 :173-183
[7]   DETERMINING ATOM-CENTERED MONOPOLES FROM MOLECULAR ELECTROSTATIC POTENTIALS - THE NEED FOR HIGH SAMPLING DENSITY IN FORMAMIDE CONFORMATIONAL-ANALYSIS [J].
BRENEMAN, CM ;
WIBERG, KB .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (03) :361-373
[8]  
Cavallaro L., 1964, Electrochim. Acta, V9, P485, DOI 10.1016/0013-4686(64)80022-0
[9]   Assessing the impact of electron-donating-substituted chalcones on inhibition of mild steel corrosion in HCl solution: Experimental results and molecular-level insights [J].
Chaouiki, A. ;
Lgaz, H. ;
Salghi, R. ;
Chafiq, M. ;
Oudda, H. ;
Shubhalaxmi ;
Bhat, K. S. ;
Cretescu, I ;
Ali, I. H. ;
Marzouki, R. ;
Chung, I-M .
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2020, 588
[10]   Thiosemicarbazide and thiocarbohydrazide functionalized chitosan as ecofriendly corrosion inhibitors for carbon steel in hydrochloric acid solution [J].
Chauhan, Dheeraj Singh ;
Ansari, K. R. ;
Sorour, A. A. ;
Quraishi, M. A. ;
Lgaz, H. ;
Salghi, R. .
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2018, 107 :1747-1757