Adsorption and Inhibitory Properties of Buchholzia coriacea Seed Extracts on Mild Steel Corrosion in Acidic Media
doi.org/10.26538/tjnpr/v5i7.19
Keywords:
Bucholzea coriacea, Inhibitor, Adsorption isotherm, Molecular modelingAbstract
Corrosion inhibitors can be defined as substances that are added in small amounts to the environment preventing metal from further degradation. While choosing the inhibitor several factors such as its cost, toxicity, availability and environment friendliness need to be taken into account. Despite the high efficiency of many commonly used synthetic compounds, they are often toxic, carcinogenic or even allergenic. Thus, there has been emerging need to search for cost effective and more environmentally friendly corrosion inhibitors obtained from renewable resources. This study was designed to investigate the application of Bucholzea coriacea seed (BCS) extract as a potential inhibitor for mild steel corrosion in acidic media. Use of GC/MSstudy on the crude extract enabled identification of eight major constituents, namely 4,5-Dihydro-2-methyl imidazole-4-one (DMM), 4,6-Dimethyltetrahydro-2H-pyran-2-one (DTP), 1-Methyl-pyrrolidine-2-carboxylic acid (MPC),2-Pyrrolidinoethylamine (PEA), (4E)-4-Methyl-4-heptane-3-one (MHT), Nitroisobutyl glycerol (NBG), 1,4-Dimethoxy-2-methylcyclohexane (DMH), 1-Pentadecanecarboxylic acid (PCA). The identified structures were studied using Molecular Dynamics (MD) simulation in a Dmol3 module available in Material Studio (MS 4.0). Key structural parameters including the energies of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO), energy gap (ΔE) and the dipole moment were calculated and discussed. The thermodynamic functions of dissolution and adsorption processes were calculated from gravimetric data and the interpretation of the results are given. The adsorption of this plant extract on the mild steel surface obeys the Langmuir adsorption isotherm.
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