Computational Simulation of the Adsorption Behavior of Benzimidazolone Derivatives as Inhibitors for Ordinary Steel Corrosion in HCl 1M
Abdeslam
El Assyry
Laboratory of Polymer Physics and Critical Phenomena, Department of Physics, Faculty of Sciences Ben M'Sik, Hassan II University, Casablanca, Morocco
author
M'Hamed
Touil
ESCTM (PCMVC Laboratory), Faculty of Sciences, Ibn Tofail University, P.O. Box 133, Kenitra 14000, Morocco
author
Fouad
Benhiba
Laboratory of Separation Processes, Faculty of Sciences, IbnTofail University, P.O. Box 133, 14000, Kenitra, Morocco
author
Bouziane
Benali
Laboratory of Optoelectronic, Physical Chemistry of Materials and Environment, Department of Physics, Faculty of Sciences, Ibn Tofail University, PB. 133, 1400, Kenitra, Morocco
author
Hassan
Rabaâ
ESCTM (PCMVC Laboratory), Faculty of Sciences, Ibn Tofail University, P.O. Box 133, Kenitra 14000, Morocco
author
Brahim
Lakhrissi
Laboratory of Agro-Resources, Polymers and Process Engineering, Faculty of Sciences, Ibn Tofail University, PO Box 133, 14000, Kenitra, Morocco
author
Ismail
Warad
Department of Chemistry and Earth Sciences, PO Box 2713, Qatar University, Doha, Qatar
author
Fouad
Bentiss
Laboratoire de Catalyse et de Corrosion des Matériaux (LCCM), Faculté des Sciences, Université ChouaibDoukkali, B.P. 20, M-24000 El Jadida, Morocco
author
Abdelkader
Zarrouk
Laboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University, Av. Ibn Battouta, P.O. Box 1014, Agdal-Rabat, Morocco
author
text
article
2020
eng
The adsorption behavior of Benzimidazol-2-one (Bz), 5-Methylbenzimidazol-2-one(CH3Bz) and 5-Chlorobenzimidazol-2-one (ClBz) as inhibitors for mild steel corrosion in HCl 1M have been studied computationally using density functional theory (DFT) calculations with the hybrid B3LYP functional. The calculations were focused on the protonated forms of the molecules under study, seeing that these classes of inhibitors can easily be protonated in acidic medium. The most preferred protonation centers were determined proton affinity (PA). Fukui indices have been computed to evaluate the nucleophilic and electrophilic sites of atoms in the molecule. The interaction of the inhibitors with the iron surface was studied by calculating the combined energy (Ecom) and the free energy of adsorption ( ΔG°ads ). Observable correlation was found between experimental corrosion inhibition efficiency and the theoretical data. The molecular dynamics (MD) and Monte Carlo (MC) simulations used show that all investigated Benzimidazol inhibitors are positioned parallel to the metal surface reflecting the coverage of a large portion of the steel surface.
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
580
606
https://www.abechem.com/article_39948_c9d7967e81679c3390cc5b45f7d21a54.pdf
Aqueous Extracts of Santolina Pectinata lag., Aerial Parts as Green Corrosion Inhibitor for Mild Steel in 1.0 M HCl
Mounir
Manssouri
Moulay Ismail University of Meknes, Laboratory of Natural Substances & Synthesis and Molecular Dynamics, Faculty of Sciences and Techniques, BP 509, 52000, Errachidia, Morocco
author
Mohamed
Znini
Moulay Ismail University of Meknes, Laboratory of Natural Substances & Synthesis and Molecular Dynamics, Faculty of Sciences and Techniques, BP 509, 52000, Errachidia, Morocco
author
Zouhair
Lakbaibi
Moulay Ismail University of Meknes, Laboratory of Natural Substances & Synthesis and Molecular Dynamics, Faculty of Sciences and Techniques, BP 509, 52000, Errachidia, Morocco
author
Yassir
El Ouadi
Laboratory of Analytical Chemistry, Materials, and Environment (LC2AME), Faculty of Sciences, University of Mohammed Premier, B.P. 717, 60000 Oujda, Morocco
author
Lhou
Majidi
Moulay Ismail University of Meknes, Laboratory of Natural Substances & Synthesis and Molecular Dynamics, Faculty of Sciences and Techniques, BP 509, 52000, Errachidia, Morocco
author
text
article
2020
eng
The protective effect of the aqueous extracts of Santolina pectinata (Lag.) aerial parts (Odorized aqueous extract (AE1) and Deodorized aqueous extract (AE2)) on the corrosion of mild steel (MS) in 1M HCl solution were tested by the weight loss (WL) analysis, potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) methods. The inhibition efficiency (%IE) is highly raised with increasing of the dose of inhibitors and increased slightly for AE1 but decreased for AE2 with the rise of the temperature media (308-343K). The charge transfer process mainly controls the results of EIS measurements, PDP measurements showed that the studied inhibitors performs as a mixed-type inhibitor. Furthermore, the adsorption on the steel is made according to the Langmuir model of each inhibitor.
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
607
624
https://www.abechem.com/article_39949_c91b2efe2dec8d20b8a78945ce7a8469.pdf
Voltammetric Determination of Curcumin in Spices using Platinum Electrode Electrochemically Modified with Poly(Vanillin-co-Caffeic Acid)
Muammer
Burç
Chemistry Department, Arts and Sciences Faculty, İnönü University, 44280, Malatya-Turkey
author
Öznur
Güngör
Chemistry Department, Arts and Sciences Faculty, İnönü University, 44280, Malatya-Turkey
author
Serap
TİTRETİR DURAN
Chemistry Department, Arts and Sciences Faculty, İnönü University, 44280, Malatya-Turkey
author
text
article
2020
eng
In this study a simple, highly sensitive, and selective electrochemical method was developed for determination of the low concentration curcumin (CUR) using a poly(vanillin-co-caffeic acid) p(Van-CA) modified platinum electrode. Electrode modification was carried out electrochemically with cyclic voltammetry (CV) method. For this purpose; a solution of 6 mM vanillin (Van) and 6 mM caffeic acid (CA) in phosphate buffer solution (PB) adjusted to pH 7.4 was used. Then, electrochemical behaviour of CUR on the platinum electrode modified with p(Van-CA) was investigated by using CV and differential pulse voltammetry (DPV) methods. Tween 20 as surfactant was used to increase the solubility and stability of CUR in this study. CUR responses of the modified electrode showed that it was selective, sensitive and stable. A linear calibration graph was acquired in the high concentration range of 0.1 to 1.0 mM CUR.Correlation coefficient (R2) was calculated as 0.9951 from this linear calibration curve. The correlation coefficient for the low concentration range 0.01 to 0.07 mM was also calculated from 0.9950. LOD (limit of detection) and LOQ (limit of quantitation) of the developed method were determined as 0.005 mM and 0.015 mM, respectively. However, the detection of CUR in spices samples was made with this method. The recovery efficiency of the p(Van-CA) modified Pt electrode (p(Van-CA)/PtE) was calculated range of 96% and 102% for three different spices samples. Finally; developed method has been shown that it has fast, low cost, simple, reproducible, high accuracy and precision (99.6%) for sensitive and selective determination of CUR by using p(Van-CA)/PtE as effective novel electrode.
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
625
643
https://www.abechem.com/article_39950_82fbcdf7d5780660c29032cad15176da.pdf
Development of Carbon Paste Electrode/EDTA/Polymer Sensor for Heavy Metals Detection
Sakina
TOUZARA
Molecular Electrochemistry and Inorganic Materials Team, Beni Mellal Faculty of Science and Technology, Sultan Moulay Slimane University, Marocco
author
Amina
Amlil
Molecular Electrochemistry and Inorganic Materials Team, Beni Mellal Faculty of Science and Technology, Sultan Moulay Slimane University, Marocco
author
Madiha
Ennachete
Molecular Electrochemistry and Inorganic Materials Team, Beni Mellal Faculty of Science and Technology, Sultan Moulay Slimane University, Marocco
author
Mohamed Amine
Smaini
Molecular Electrochemistry and Inorganic Materials Team, Beni Mellal Faculty of Science and Technology, Sultan Moulay Slimane University, Marocco
author
Abdelilah
Chtaini
Molecular Electrochemistry and Inorganic Materials Team, Beni Mellal Faculty of Science and Technology, Sultan Moulay Slimane University, Marocco
author
text
article
2020
eng
The method used to immobilize the polymer on the Disodium ethylenediamine tetraacetate (EDTA) modified carbon paste electrode (CPE/EDTA) has proved its effectiveness for the detection and chelation of heavy metals in aqueous solution. Its complex formation with Pb(II) was examined by square wave voltammetry and cyclic voltammetry. CPE/EDTA electrodes are predisposed to the phenomenon of dissolution due to several factors, such as pH, we thought to cover these electrodes with a selective polymer synthesized (9% of the polysulfone and 91% of the polyacrylonitrile) for remedy this problem. It was found that the CPE/EDTA/polymer electrode shows a better performance than the carbon paste electrode modified by EDTA molecular (CPE/EDTA). The polymer used protects the surface of the electrode while preserving its activity. These modified electrodes developed in this study allow simple, rapid and inexpensive identifi1cation of lead ions with 1.08×10-9mol/l of detection limit. The morphological study of polymer surface was examined by Atomic Force Microscopy (AFM).
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
644
652
https://www.abechem.com/article_39951_316c33369bc92f05b3688a8433a56409.pdf
Manganese Ferrite Nanocomposite Modified Electrochemical Sensor for the Detection of Guanine and Uric Acid
Yogendra
Kumar
Department of Chemistry, GLA University, Mathura, 281406 India
author
Vinod
Vashistha
Department of Chemistry, GLA University, Mathura, 281406 India
author
Vivek
Sharma
Department of Chemistry, GLA University, Mathura, 281406 India
author
Rahul
Patil
Department of Chemistry, GLA University, Mathura, 281406 India
author
Dipak
Das
Department of Chemistry, GLA University, Mathura, 281406 India
author
text
article
2020
eng
Manganese ferrite nanoparticles were produced by applying the combustion technique using the manganese acetate and ferric nitrate as the starting material. Analytical techniques like FESEM and TEM were utilized to characterize the synthesized materials. The typical size was observed in the range of 12 to 14 nm with a cubic structure. The synthesized material was used as an electrochemical sensor which was fabricated using the nanocomposite for the identification of guanine (GU) and uric acid (UA) (individually and in their mixture). The cyclic voltammeter and differential pulse voltammeter techniques were deployed to check the sensor activity of the modified electrode. Lower detection limit for GU and UA was found to be 400 nM and 450 nM, with linearity range 0.5 to 120 μM and 02 to 140 μM for GU and UA respectively. The electrochemical sensor developed in this method can be widely employed for the identification of GU and UA and analogs in biofluids or dosage forms.
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
653
662
https://www.abechem.com/article_39953_09baa15407e4514e634e56a56c8ee586.pdf
A Novel Choline Biosensor Based on Immobilization of Enzyme Choline Oxidase on the β-Ga2O3 Nanowires Modified Working Electrode
Vahid
Ghafouri
Nano and Biophysics Department, Institution Research of Applied Sciences, Academic Center of Education, Culture and Research (ACECR), Shahid Beheshti University, P. O. Box 19615-1171 Tehran, Iran
author
Aghdas
Banaei
Nano and Biophysics Department, Institution Research of Applied Sciences, Academic Center of Education, Culture and Research (ACECR), Shahid Beheshti University, P. O. Box 19615-1171 Tehran, Iran
author
text
article
2020
eng
This article is a report on a novel and high-stability biosensor with minor interference effects of surface modification of working electrode with β-Ga2O3 nanowires (NWs) on choline oxidase biosensor were investigated in an electrochemical detection system. β-Ga2O3 NWs were materialized on the silicon substrate in a catalyst-free growth mechanism. The β-Ga2O3 NWs were in string form with 10 μm in length and uniformly 30 nm in diameter. Then the enzyme choline oxidase (ChOx) immobilized on the β-Ga2O3 NW/CB arrays on the working electrode. The Cyclic voltammetry (CV), Impedance spectroscopy and differential pulse voltammetry (DPV) measurements were performed for bio-sensing detection with choline chloride as substrate. One of the most prominent features of this surface modification with Ga2O3 NWs /CB is that the peak intensity, which is often of the order of μA, is greatly increased and reaches about mA. Chronoamperometry amplification well confirms the performance of this surface modification. The current with the CB modified electrode is about three times more than the non-modified electrode, and Ga2O3 NWs/CB modified electrode twice more than the CB modified electrode. The maximum current in the DPV data is modelled linearity iap= 0.159 (C)+2.28 and R2 = 0.982. The limit of detection (LOD) of the electrode for the choline measurement was reached to 8.29 μM. The Sensitivity of the electrode was around 0.0397 mA mM−1 mm−2. The stability of this biosensor has been well studied over a period of 6 months, and more than 80% of the permanency of its response has been confirmed.
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
663
687
https://www.abechem.com/article_39954_71fec68ee1eac1e78c76fef269c64310.pdf
A Model of Irreversible Electro-Oxidation Inhibited by Either Adsorption or Surface Complexation of the Product
Milivoj
Lovrić
Divkovićeva 13, Zagreb 10090, Croatia
author
text
article
2020
eng
Theoretical models of irreversible electro-oxidation of dissolved reactant giving dissolved product on the stationary planar electrode are developed for the conditions of staircase cyclic voltammetry. In the first model it is assumed that the product is adsorbed on the electrode surface and that the adsorbate prevents the transfer of electrons. In the second model it is assumed that the electrode surface is reversibly covered by the oxide monolayer and that the product of electro-oxidation forms the inhibiting complex with the oxide. The calculations were performed by the transformation of transport defining differential equations into integral equations and by the numerical solution of the latter. The described mechanisms are investigated in order to analyse the relationship between the second anodic peak in cyclic voltammetry and the type of inhibition. It is shown that anomalous responses appear only if the electro-oxidation is inhibited by the surface complex of its product and the electrode oxide. The condition is that the electrode oxidation is reversible and that the complex disappears when the oxide is reduced.
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
-
12
v.
5
no.
2020
688
699
https://www.abechem.com/article_39956_e3243ed5f47a659eeb0682c8ea14315f.pdf
Voltammetric Detection of Dopamine and Ascorbic Acid Using a Multi-Walled Carbon Nanotubes/Schiff Base Complex of Cobalt-Modified Glassy Carbon Electrode
hamidreza
zare
Department of Chemistry, Payame Noor University, PO BOX 19395-3697 Tehran, Iran
author
text
article
2020
eng
The surface of the glassy carbon electrode (GCE) is modified with the composite of new Cobalt complex with a tetradentate Schiff base ligand derived from 3-ethoxysalicylaldehyde and 4,5-dimethyl orthophenylenediamine (CoOEtSal) and multi-walled carbon nanotube (MWCNT). The electrochemical oxidation of ascorbic acid (AA) and dopamine (DA) at the modified electrode was studied using the cyclic and differential pulse voltammetric techniques (CV and DPV). The effect of the scan rate and pH of the buffered solution on the electrode response is studied. An acceptable resolution of more than 285 mV for anodic oxidation waves of AA and DA is obtained using the modified glassy carbon electrode, and makes it very efficient for the simultaneous detection of these compounds. The Results show good peak resolution for AA and DA and the sub-micromolar detection limits for these compounds (0.07 and 0.04 μM for AA and DA respectively). The modified GCE was used successfully for the recovery of the analytes in human urine samples.
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
700
711
https://www.abechem.com/article_39960_2262009addee0ce6a9a80d7ae210b326.pdf
Development of a Disposable Electrochemical Sensor based on Nanocomposite/Ionic Liquid Assisted Hollow Fiber-Graphite Electrode for Measurement of Lorazepam Using Central Composite Design
mohammad
vahidifar
Department of chemistry, Payame Noor University, 19395-4697 Tehran, Iran
author
Zarrin
Eshaghi
Department of chemistry, Payame Noor University, 19395-4697 Tehran, Iran
author
text
article
2020
eng
In this study a new method of preconcentration, separation and efficient measuring of so-called hollow fiber solid / liquid phase microextraction has been introduced for the determination of trace amounts of lorazepam (LRZ) in water samples, urine and hair using differential pulse voltammetry. To this end, a hybrid adsorbent material was used that involved ionic liquid assisted magnetic multi-walled carbon nanotube as the extraction phase. Nanoparticles dispersed in the ionic liquid were placed inside the pores and channels of hollow polypropylene fiber. Then the pencil graphite electrode modified with multi-walled carbon nanoparticles was put into this fiber. This combined electrode was placed in a voltammetry cell and use as a working electrode. The electrochemical behavior of LRZ on the fabricated working electrode was investigated by differential pulse voltammetry (DPV) techniques and the obtained results confirmed its efficiency for sensing of LRZ. The study was approved using the Placktett-Burman design (PBD) for screening and central composite design (CCD) for the optimization of the process parameters. Under optimal conditions, a linear calibration curve was plotted for the concentration of analyte between 0.032 to 64.2 μM with a detection limit (LOD) (S/N=3) and limit of quantification (LOQ) of 0.003 μM and 0.06 μM respectively. The suggested method was successfully applied for screening real samples; domestic water, urine and hair for LRZ
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
712
732
https://www.abechem.com/article_39967_fe56009dd1e20b1677a376a508883a2a.pdf
Detection of Clindamycin in Pharmaceutical Products using an Electrochemiluminescence Electrode based on a Composite of Ru(bpy)3²+, Eu2O3 Nanoparticle and Chitosan
Sepideh
Mohammad Beigi
Center of Excellence in Electrochemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran
author
Fazeleh
Mesgari
Center of Excellence in Electrochemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran
author
Morteza
Hosseini
Department of Life Science Engineering, Faculty of New Sciences & Technologies, University of Tehran, Tehran, Iran
author
text
article
2020
eng
In this study, the electrochemiluminescence (ECL) interaction of clindamycin and tris(2,2′-bipyridine)ruthenium(II) (Ru(bpy)32+) was used to develop a sensitive tool for the detection of clindamycin based on modifying a glassy carbon electrode (GCE) with nanoparticles of europium oxide. The experiments showed that in the presence of these inorganic nanoparticles (Eu2O3 NPs) the ECL signal is enhanced. The optimal ECL response of the electrode was found to linearly change with the concentration of clindamycin from 3.0×10-14 to 1.0×10-6 mol L-1 (R2= 0.9909) and a detection limit of as low as 7.4×10-15 mol L-1 (S/N=3) with a relative standard deviation (RSD) of 4.0 % was observed. The method was compared and found to be better than previously reported ones, in terms of sensitivity, and the analysis of the analyte by proposed method was successful in pharmaceutical formulations using HPLC as a reference method.
Analytical and Bioanalytical Electrochemistry
Analytical and Bioanalytical Electrochemistry is an international scientific journal, which is published online every 3 months (since 2009), every 2 months (since 2011) and monthly (since 2018) by Center of Excellence in Electrochemistry, University of Tehran
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12
v.
5
no.
2020
733
746
https://www.abechem.com/article_39968_b76fa11b534a4149f93420e394af76f1.pdf