Adsorption of basic dyes onto activated carbon: experimental and theoretical investigation of chemical reactivity of basic dyes using DFT-based descriptors
Adsorption of basic dyes, basic blue 26 (BB26), basic green 1 (BG1), basic yellow 2 (BY2)
and basic red 1 (BR1) onto activated carbon surfaces were investigated. Activated carbons …
and basic red 1 (BR1) onto activated carbon surfaces were investigated. Activated carbons …
[HTML][HTML] The inhibition behavior of two pyrimidine-pyrazole derivatives against corrosion in hydrochloric solution: Experimental, surface analysis and in silico approach …
Two pyrimidine-pyrazole derivatives have been investigated as corrosion inhibitors for mild
steel in acidic medium using weight loss measurement, polarization curve and …
steel in acidic medium using weight loss measurement, polarization curve and …
Synthesis, experimental and theoretical studies of sesquiterpenic thiosemicarbazone and semicarbazone as organic corrosion inhibitors for stainless steel 321 in …
In this work, the compounds thiosemicarbazone and semicarbazone sesquiterpene (TSC
and SMC, respectively) were synthesized from sesquiterpene α, β-unsaturated ketone and …
and SMC, respectively) were synthesized from sesquiterpene α, β-unsaturated ketone and …
DFT and MCDS Outcome for a Comparative Analysis of NO, NO2, SO, SO2 and SO3 Gas Adsorption onto a NaMgPO4 (033) Surface
J Attarki, M Khnifira, W Boumya, H Hajjaoui… - Surfaces, 2023 - mdpi.com
The research purpose of this work is to examine the adsorption interaction of gaseous
molecules (GMs), such as NO, NO2, SO, SO2, and SO3, with the surface of sodium …
molecules (GMs), such as NO, NO2, SO, SO2, and SO3, with the surface of sodium …
Synthesis, electrochemical, thermodynamic, and quantum chemical investigations of amino cadalene as a corrosion inhibitor for stainless steel type 321 in sulfuric …
The corrosion of stainless steel is one of the major industries' issues that gained wide
interest among researchers. It became necessary to develop and apply eco‐friendly …
interest among researchers. It became necessary to develop and apply eco‐friendly …
Cleaner corrosion inhibitors using Peumus boldus Molina formulations in oil well acidizing fluids: gravimetric, electrochemical and DFT studies
LB Furtado, RC Nascimento, MJOC Guimaraes… - Sustainable Chemistry …, 2021 - Elsevier
Eco-friendly inhibitors are an alternative to reduce environmental and human health
problems related to conventional inhibitors employed in oil well acidizing. In the present …
problems related to conventional inhibitors employed in oil well acidizing. In the present …
[HTML][HTML] Molecular modeling and quantitative structure–property relationships (QSPRs) of purine derivatives as corrosion inhibitor in acid medium
The corrosion inhibition potential of purine and its twelve derivatives was theoretically
investigated. Their chemical descriptors: dipole moments, softness, electronegativity …
investigated. Their chemical descriptors: dipole moments, softness, electronegativity …
Experimental and theoretical approach on the enhanced inhibitory effect of tetracyclic triterpenes for stainless steel corrosion in sulfuric acid
The effects of triterpene fraction (TF) on the corrosion behavior of AISI Type 321 stainless
steel (SS) in sulfuric acid were investigated by potentiodynamic polarization and …
steel (SS) in sulfuric acid were investigated by potentiodynamic polarization and …
A new insight into non‐steroidal anti‐inflammatory drugs (NSAIDs) as modulated green inhibitory agent on mild steel corrosion
D Patel, K Makwana, MB Shirdhonkar… - …, 2019 - Wiley Online Library
Present study investigate the corrosion inhibition action of green non‐steroidal anti‐
inflammatory drugs (NSAIDs) on mild steel (MS) in 1 M HCl by Gravimetric method …
inflammatory drugs (NSAIDs) on mild steel (MS) in 1 M HCl by Gravimetric method …
[PDF][PDF] Quantum chemical studies on corrosion inhibition of 1, 3-thiazine derivatives for mild steel in acidic media: DFT approach
O Sikemi, OA Kolawole, S Banjo - Manila Journal of Science, 2017 - researchgate.net
Quantum chemical calculations via B3LYP/631G (dp) level were performed on 1, 3-Thiazine
derivatives used as corrosion inhibitors for mild steel in acidic media. The calculated …
derivatives used as corrosion inhibitors for mild steel in acidic media. The calculated …