4.6 Article

De-scaling, experimental, DFT, and MD-simulation studies of unwanted growing plant as natural corrosion inhibitor for SS-410 in acid medium

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Calculation of vertical and adiabatic ionization potentials for some benzaldehydes using hybrid DFT, multilevel G3B3 and MP2 methods

Zaki S. Safi et al.

Summary: In this study, adiabatic ionization potential (AIP) and vertical ionization potential (VIP) for eight benzaldehydes were calculated using various methods and compared with experimental data, showing excellent agreement. The influence of substituents and solvents on AIP values was investigated, as well as the changes in geometrical structures between cationic and neutral species.

CHEMICAL PHYSICS LETTERS (2022)

Article Construction & Building Technology

Synthesis and anticorrosive properties of epoxy polymer for CS in [1 M] HCl solution: Electrochemical, AFM, DFT and MD simulations

Rachid Hsissou et al.

Summary: A novel EPT epoxy polymer was developed and investigated for its anticorrosive performance on carbon steel in [1 M] HCl medium. Experimental results showed high inhibitory efficiencies of EPT through chemical adsorption to resist acid attack, demonstrating its potential as an inhibitor for carbon steel. Computational approaches further supported these findings, indicating spontaneous adsorption and affirming the effectiveness of EPT.

CONSTRUCTION AND BUILDING MATERIALS (2021)

Editorial Material Chemistry, Physical

Materials Studio 20th anniversary

Marc Meunier et al.

MOLECULAR SIMULATION (2021)

Article Chemistry, Physical

Insight into the corrosion inhibition of novel macromolecular epoxy resin as highly efficient inhibitor for carbon steel in acidic mediums: Synthesis, characterization, electrochemical techniques, AFM/UV-Visible and computational investigations

R. Hsissou et al.

Summary: This study investigated the corrosion behavior of carbon steel in hydrochloric acid and sulfuric acid solutions in the presence of a newly synthesized macromolecular epoxy resin. The results showed that the compound significantly reduced the corrosion rate of carbon steel by forming a stable protective film on the metal surface, with corrosion efficiencies of about 95.5% in HCl and 98% in H2SO4. Langmuir isotherm model was the most suitable to describe the adsorption of the epoxy resin on the surface of carbon steel. Theoretical calculations supported the experimental results, confirming the epoxy resin as a highly effective inhibitor against carbon steel corrosion in acidic media.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Biochemistry & Molecular Biology

Cellulose-Based Hectocycle Nanopolymers: Synthesis, Molecular Docking and Adsorption of Difenoconazole from Aqueous Medium

Bayan Khalaf et al.

Summary: This study developed two cellulose-based heterocycles for water purification from toxic pesticides, and optimized their adsorption conditions. The maximum removal percentages for difenoconazole were found to be 94.7% and 96.6% for Cell-X and Cell-D, respectively. Adsorption followed a pseudo-second order kinetic model and Langmuir isotherm, indicating high efficiency for difenoconazole removal.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)

Article Chemistry, Multidisciplinary

Akebia trifoliate koiaz peels extract as environmentally benign corrosion inhibitor for mild steel in HCl solutions: Integrated experimental and theoretical investigations

Mengqin Zhang et al.

Summary: In this study, pectin components were extracted from akebia trifoliate koiaz peels and investigated for their corrosion inhibition performance on mild steel in HCl medium. The results show that ATKPE exhibits excellent corrosion inhibition characteristics and can form a barrier film firmly attached to the metal surface. The study also involved quantum chemical calculations and molecular dynamics simulations to reveal the inhibition mechanism at the molecular/atomic level.

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY (2021)

Article Materials Science, Multidisciplinary

Corrosion inhibition, surface adsorption and computational studies of Swertia chirata extract: A sustainable and green approach

Rajesh Haldhar et al.

Summary: The study demonstrates that the extract from Swertia chirata plant can effectively enhance the corrosion resistance of carbon steel in acidic medium, with high inhibition efficiency and adsorption capacity. Additionally, through experimental and theoretical investigations, the corrosion inhibition effect and mechanism were elucidated.

MATERIALS CHEMISTRY AND PHYSICS (2021)

Article Materials Science, Multidisciplinary

Polar group substituted imidazolium zwitterions as eco-friendly corrosion inhibitors for mild steel in acid solution

Jiyaul Haque et al.

CORROSION SCIENCE (2020)

Article Materials Science, Multidisciplinary

Pomelo Peel Extract as Corrosion Inhibitor for Steel in Simulated Seawater and Acidic Mediums

Yap Pui Yee et al.

JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE (2020)

Article Materials Science, Multidisciplinary

Corrosion Inhibition ofl-Methionine Amino Acid as a Green Corrosion Inhibitor for Stainless Steel in the H(2)SO(4)Solution

M. Yeganeh et al.

JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE (2020)

Article Chemistry, Multidisciplinary

Performance of Pfaffia paniculata extract towards corrosion mitigation of low-carbon steel in an acidic environment

Rajesh Haldhar et al.

Summary: Research shows that Pfaffia paniculata root extract exhibits excellent corrosion resistance in sulfuric acid, forming an efficient protective layer to resist the corrosion process.

INTERNATIONAL JOURNAL OF INDUSTRIAL CHEMISTRY (2020)

Article Chemistry, Physical

USE OF SYZYGIUM AROMATICUM EXTRACT AS GREEN CORROSION INHIBITOR FOR MILD STEEL IN 0.5 M H2SO4

Akhil Saxena et al.

SURFACE REVIEW AND LETTERS (2019)

Article Biotechnology & Applied Microbiology

Inhibitory Effect of Ethanolic Extract of Propolis on Corrosion of Ferritic Stainless Steel in Chloride Media

L. M. P. Dolabella et al.

CHEMICAL AND BIOCHEMICAL ENGINEERING QUARTERLY (2019)

Article Chemistry, Multidisciplinary

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

Lei Guo et al.

FRONTIERS IN CHEMISTRY (2018)

Article Chemistry, Physical

Effect of clozapine on inhibition of mild steel corrosion in 1.0 M HCl medium

Hassane Lgaz et al.

JOURNAL OF MOLECULAR LIQUIDS (2017)

Article Chemistry, Multidisciplinary

Aqueous extract of Argemone mexicana roots for effective protection of mild steel in an HCl environment

Gopal Ji et al.

RESEARCH ON CHEMICAL INTERMEDIATES (2016)

Article

Withania somnifera Extract as Green Inhibitor for Mild Steel in 8 % H2SO4

Akhil Saxena et al.

ASIAN JOURNAL OF CHEMISTRY (2016)

Article Chemistry, Applied

Ethanol extract of propolis as a protective coating for mild steel in chloride media

L. M. P. Dolabella et al.

JOURNAL OF COATINGS TECHNOLOGY AND RESEARCH (2016)

Article Chemistry, Multidisciplinary

Santolina chamaecyparissus extract as a natural source inhibitor for 304 stainless steel corrosion in 3.5% NaCl

M. Shabani-Nooshabadi et al.

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY (2015)

Article Chemistry, Multidisciplinary

Utilization of watermelon rind extract as a green corrosion inhibitor for mild steel in acidic media

N. A. Odewunmi et al.

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY (2015)

Article Materials Science, Multidisciplinary

Adsorption and electrochemical studies of Pimenta dioica leaf extracts as corrosion inhibitor for mild steel in hydrochloric acid

K. K. Anupama et al.

MATERIALS CHEMISTRY AND PHYSICS (2015)

Article Materials Science, Multidisciplinary

Neolamarckia cadamba alkaloids as eco-friendly corrosion inhibitors for mild steel in 1 M HCl media

Pandian Bothi Raja et al.

CORROSION SCIENCE (2013)

Article Materials Science, Multidisciplinary

Inhibitory action of aqueous garlic peel extract on the corrosion of carbon steel in HCl solution

Simone Santana de Assuncao Araujo Pereira et al.

CORROSION SCIENCE (2012)

Article Materials Science, Multidisciplinary

Inhibition of the corrosion of steel in HCl, H2SO4 solutions by bamboo leaf extract

Xianghong Li et al.

CORROSION SCIENCE (2012)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Materials Science, Multidisciplinary

Elucidation of the Corrosion Inhibition of Mild Steel in 1.0 M HCl by Catechin Monomers from Commercial Green Tea Extracts

S. Nofrizal et al.

METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE (2012)

Article Materials Science, Multidisciplinary

Theoretical study of benzimidazole and its derivatives and their potential activity as corrosion inhibitors

I. B. Obot et al.

CORROSION SCIENCE (2010)

Article Materials Science, Multidisciplinary

Corrosion inhibition of mild steel in hydrochloric acid solution by Schiff base furoin thiosemicarbazone

K. Stanly Jacob et al.

CORROSION SCIENCE (2010)

Article Electrochemistry

Corrosion inhibition of mild steel in hydrochloric acid by betanin as a green inhibitor

Habib Ashassi-Sorkhabi et al.

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (2009)

Article Chemistry, Physical

An electroactive co-polymer as corrosion inhibitor for steel in sulphuric acid medium

Ganesha Achary et al.

APPLIED SURFACE SCIENCE (2008)

Article Materials Science, Multidisciplinary

Carboxymenthylchitosan as an ecofriendly inhibitor for mild steel in 1 M HCl

Sha Cheng et al.

MATERIALS LETTERS (2007)

Article Chemistry, Physical

Electrodonating and electroaccepting powers

Jose L. Gazquez et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

Article Chemistry, Physical

Quantum chemical study of the inhibitive properties of 2-pyridyl-azoles

B Gómez et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Chemistry, Analytical

A new inhibitor for mild carbon steel:: Electrochemical and DFT studies

J Cruz et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2005)

Article Materials Science, Multidisciplinary

Evaluation of the inhibitor effect of L-ascorbic acid on the corrosion of mild steel

ES Ferreira et al.

MATERIALS CHEMISTRY AND PHYSICS (2004)

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Electrochemistry

Hector bases - a new class of heterocyclic corrosion inhibitors for mild steel in acid solutions

MA Quraishi et al.

JOURNAL OF APPLIED ELECTROCHEMISTRY (2003)

Article Materials Science, Multidisciplinary

Corrosion inhibition of carbon-steels by propargyltriphenylphosphonium bromide in H2SO4 solution

MH Wahdan et al.

MATERIALS CHEMISTRY AND PHYSICS (2002)

Article Chemistry, Physical

Polarizable continuum model (PCM) calculations of solvent effects on optical rotations of chiral molecules

B Mennucci et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2002)

Review Materials Science, Multidisciplinary

Polarization resistance method for determination of instantaneous corrosion rates

JR Scully

CORROSION (2000)