Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media
出版年份 2020 全文链接
标题
Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media
作者
关键词
-
出版物
Sustainability
Volume 12, Issue 8, Pages 3304
出版商
MDPI AG
发表日期
2020-04-21
DOI
10.3390/su12083304
参考文献
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。- Theoretical Studies on Mild Steel Corrosion Inhibition by 5- Substituted 1H-Tetrazoles in Acidic Media
- (2019) Mahmud Ibrahim Elusta et al. International Journal of Electrochemical Science
- Corrosion Inhibition of Aluminum using Nonionic Surfactant Compounds with a Six Membered Heterocyclic Ring in 1.0M HCl Solution
- (2019) F H. Al-abdali et al. International Journal of Electrochemical Science
- Heterocyclic Schiff bases as corrosion inhibitors for carbon steel in 1 M HCl solution: hydrodynamic and synergetic effect
- (2019) Imene Benmahammed et al. JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY
- Novel derivative epoxy resin TGETET as a corrosion inhibition of E24 carbon steel in 1.0 M HCl solution. Experimental and computational (DFT and MD simulations) methods
- (2019) Rachid Hsissou et al. JOURNAL OF MOLECULAR LIQUIDS
- Highly effective mild steel corrosion inhibition in 1 M HCl solution by novel green aqueous Mustard seed extract: Experimental, electronic-scale DFT and atomic-scale MC/MD explorations
- (2019) Ghasem Bahlakeh et al. JOURNAL OF MOLECULAR LIQUIDS
- Effect of solution's pH and molecular structure of three linear α-amino acids on the corrosion of tin in salt solution: A combined experimental and theoretical approach
- (2019) Brahim El Ibrahimi et al. JOURNAL OF MOLECULAR STRUCTURE
- Approaches to investigate the role of chelation in the corrosivity of biomass-derived oils
- (2019) Raynella M. Connatser et al. BIOMASS & BIOENERGY
- Cobalt-modified molybdenum carbide as a selective catalyst for hydrodeoxygenation of furfural
- (2018) Zhexi Lin et al. APPLIED CATALYSIS B-ENVIRONMENTAL
- Choline based ionic liquids as sustainable corrosion inhibitors on mild steel surface in acidic medium: Gravimetric, electrochemical, surface morphology, DFT and Monte Carlo simulation studies
- (2018) Chandrabhan Verma et al. APPLIED SURFACE SCIENCE
- Microwave assisted efficient furfural production using nano-sized surface-sulfonated diamond powder
- (2018) Frederic Delbecq et al. CATALYSIS COMMUNICATIONS
- Evaluation of Ginkgo leaf extract as an eco-friendly corrosion inhibitor of X70 steel in HCl solution
- (2018) Yujie Qiang et al. CORROSION SCIENCE
- Corrosion inhibition properties of a green hybrid pigment based on Pr-Urtica Dioica plant extract
- (2018) M. Motamedi et al. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
- Molecular dynamics and Monte Carlo simulations as powerful tools for study of interfacial adsorption behavior of corrosion inhibitors in aqueous phase: A review
- (2018) Chandrabhan Verma et al. JOURNAL OF MOLECULAR LIQUIDS
- Corrosion inhibition performance of newly synthesized 5-alkoxymethyl-8-hydroxyquinoline derivatives for carbon steel in 1 M HCl solution: experimental, DFT and Monte Carlo simulation studies
- (2018) M. El Faydy et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo2C Surfaces
- (2018) Weiming Wan et al. TOPICS IN CATALYSIS
- Hydrolysis of Hemicellulose and Derivatives—A Review of Recent Advances in the Production of Furfural
- (2018) Frederic Delbecq et al. Frontiers in Chemistry
- Self-assembly of hierarchical N-heterocycles-inorganic materials into three-dimensional structure for superior corrosion protection
- (2018) Wail Al Zoubi et al. CHEMICAL ENGINEERING JOURNAL
- Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis
- (2018) Ancy Iruthayaraj et al. JOURNAL OF MOLECULAR STRUCTURE
- Theoretical evaluation of some α-amino acids for corrosion inhibition of copper in acidic medium: DFT calculations, Monte Carlo simulations and QSPR studies
- (2018) Brahim El Ibrahimi et al. JOURNAL OF KING SAUD UNIVERSITY SCIENCE
- A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron
- (2017) Şaban Erdoğan et al. JOURNAL OF MOLECULAR STRUCTURE
- Activity of continuous flow synthesized Pd-based nanocatalysts in the flow hydroconversion of furfural
- (2017) Antonio J. Garcia-Olmo et al. TETRAHEDRON
- Application of sulfonated carbon-based catalyst for the furfural production from d -xylose and xylan in a microwave-assisted biphasic reaction
- (2017) Yantao Wang et al. Molecular Catalysis
- CF3 : An Electron-Withdrawing Substituent for Aromatic Anion Acceptors? “Side-On” versus “On-Top” Binding of Halides
- (2016) Markus Albrecht et al. CHEMISTRY-A EUROPEAN JOURNAL
- Conversion of xylose, xylan and rice husk into furfural via betaine and formic acid mixture as novel homogeneous catalyst in biphasic system by microwave-assisted dehydration
- (2016) Frederic Delbecq et al. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
- Experimental, quantum chemical and Monte Carlo simulation studies of 3,5-disubstituted-4-amino-1,2,4-triazoles as corrosion inhibitors on mild steel in acidic medium
- (2016) M. ElBelghiti et al. JOURNAL OF MOLECULAR LIQUIDS
- Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron
- (2016) Savaş Kaya et al. JOURNAL OF MOLECULAR LIQUIDS
- Furfural Production from d-Xylose and Xylan by Using Stable Nafion NR50 and NaCl in a Microwave-Assisted Biphasic Reaction
- (2016) Sarah Le Guenic et al. MOLECULES
- Density Functional Theory (DFT) modeling and Monte Carlo simulation assessment of inhibition performance of some carbohydrazide Schiff bases for steel corrosion
- (2016) I.B. Obot et al. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
- Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview
- (2015) I.B. Obot et al. CORROSION SCIENCE
- The roles of mercapto, benzene, and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor–copper bonding
- (2015) Nataša Kovačević et al. CORROSION SCIENCE
- Microwave-assisted dehydration of D-xylose into furfural by diluted inexpensive inorganic salts solution in a biphasic system
- (2015) Sarah Le Guenic et al. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
- Integrated furfural production as a renewable fuel and chemical platform from lignocellulosic biomass
- (2013) Charles M Cai et al. JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
- Crystal morphology study of N,N′-diacetylchitobiose by molecular dynamics simulation
- (2011) Liulin Yang et al. CARBOHYDRATE RESEARCH
- Probability distribution of pitting corrosion depth and rate in underground pipelines: A Monte Carlo study
- (2009) F. Caleyo et al. CORROSION SCIENCE
- Antifungal drugs as corrosion inhibitors for aluminium in 0.1M HCl
- (2009) I.B. Obot et al. CORROSION SCIENCE
- Theoretical study of benzimidazole and its derivatives and their potential activity as corrosion inhibitors
- (2009) I.B. Obot et al. CORROSION SCIENCE
- Monte Carlo simulations of corrosion inhibition of mild steel in 0.5 M sulphuric acid by some green corrosion inhibitors
- (2009) K. F. Khaled JOURNAL OF SOLID STATE ELECTROCHEMISTRY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started