Skip to content
Research Article Open access CC BY 4.0

DFT Calculations on Corrosion Inhibition of Aluminum by Some Carbohydrates

Salim M. Khalil, Ghassab M. Al-Mazaideh, Nozha M. Ali

International Journal of Biochemistry Research & Review · pp. 1–7 · Published 14 Oct 2016

10.9734/IJBCRR/2016/29288

Abstract

We have performed a DFT calculations on glucose, fructose, lactose, maltose and sucrose as corrosion inhibitors of aluminum with complete optimization of geometries using B3LYP/6-31 G level (d, p) to find a relation between the molecular structure and corrosion inhibition. Frontier orbitals and quantum parameters together with calculated thermodynamic function ∆G for adsorption of the inhibitors on aluminum are reported. Glucose and fructose are found to be the most efficient, followed by lactose and maltose. Sucrose shows poor inhibitive effect.

Aluminum DFT carbohydrates inhibitors corrosion

Cited by 11

Synthesis, Characterization, and Theoretical Investigation of the Effectiveness as Anti-corrosion for Chalcone Derivatives

Acer Juma Hamad, Hamdia Hateem Jawad, Kadhim A. Adem · Baghdad Science Journal · 2025

Coordination chemistry of chalcones and derivatives and their use as corrosion inhibitors: A comprehensive review

Sheetal, Ashish Kumar Singh, Valentine Chikaodili Anadebe · Coordination Chemistry Reviews · 2024

Phytochemical components of Allium Jesdianum flower as effective corrosion-resistant materials for Fe(1 1 0), Al(1 1 1), and Cu(1 1 1): DFT study

Nuha Wazzan · Arabian Journal of Chemistry · 2023

Corrosion Inhibition of Mild Steel by Aqueous Leaf Extract of Purple Hedge Plant: Experimental and Theoretical Investigation

Shipra Mukhopadhyay, Subrata Dasgupta, Suprakash Roy · Journal of Bio- and Tribo-Corrosion · 2021

Microwave-assisted fast preparation of functionalized carbon dots: The impact of ionic liquid precursor on corrosion inhibition

Yuerong Wang, Youqing Sun, Yao Zhao · Colloids and Surfaces A: Physicochemical and Engineering Aspects · 2024

Eco-friendly methanolic Ajuga orientalis extract as corrosion inhibitor for aluminium in 1.0 M NaOH

Mahmoud A. Al-Qudah, Faisal K. Algethami, Omaima A. Fodeh · Corrosion Engineering, Science and Technology: The International Journal of Corrosion Processes and Corrosion Control · 2024

Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies

Fritzgerald Kogge Bine, Stanley Numbonui Tasheh, Nyiang Kennet Nkungli · Computational Chemistry · 2021

Theoretical studies of dimers and properties of the corrosion inhibitor profile for semicarbazones and thiosemicarbazones

Ámison Rick L. Silva, Carlos A. Martínez-Huitle · Journal of Molecular Liquids · 2021

Lavender Essential Oil and the Amphoteric Surfactant Cocamidopropyl Betaine as Synergistic Inhibitors of Carbon Steel Corrosion: Experimental and DFT Studies

M. Djama, L. Benhaddad, B. Idir · Protection of Metals and Physical Chemistry of Surfaces · 2025

Molecular and periodic DFT calculations of the corrosion protection of Fe(1 1 0) by individual components of Aerva lanata flower as a green corrosion inhibitor

Ohoud S. Al-Qurashi, Nuha Wazzan · Journal of Saudi Chemical Society · 2022

Related research

Article metrics

Real usage data collected on this platform.

0

Page views

0

PDF downloads

0

Outbound clicks

11

Citations

Views by country

Approximate, from request IP at view time — not citizenship or institution. Countries with fewer than 5 views are grouped as "Other".

No views recorded yet.

Traffic sources

Referring site, by host.

No traffic recorded yet.

Views and downloads exclude known bots/crawlers. Citations combines this platform's own DOI-resolved index with each external source's own reported total — see Cited by above for individually listed citing works. Last refreshed 0 seconds ago.