The effect of macrocycle ring size on the corrosion inhibition efficiency of dibenzo-12-crown-4 (DB12C4), dibenzo-15-crown-5 (DB15C5), dibenzo-18-crown-6 (DB18C6), dibenzo-21-crown-7 (DB21C7) and dibenzo-24-crown-8 (DB24C8) have been elucidated by mean of density functional calculation at B3LYP/6-31G(d) level of theory in the gas and aqueous environment. The quantum chemical parameters including the frontier orbital energies (EHOMO, ELUMO), ionization potential (I), electron affinity (A), the absolute electronegativity (χ), hardness (η), softness (σ), and the fraction of electron transferred (ΔN) are positively correlated to the corrosion inhibition efficiency (IE%) of the studied crown ethers. The calculation results indicate that DB24C8 exhibits the highest corrosion inhibition efficiency, whereas DB12C4 exhibits the lowest corrosion inhibition efficiency. The results of this study will contribute to design crown ethers potential as corrosion inhibitors.

Biochar is an interesting adsorbent material due to its use is correlated with biomass waste utilization and also minimize environmental pollution from high amount of biomass by-product. Regarding to improve the biochar ability in water treatment, several surface modifications have been developed, one of them is modification using surfactant. In this study, sodium dodecylbenzene sulfonate (SDBS) was used to modify the surface of biochar prepared from pyrolysis of cassava peels (Manihot utilissima). Its performance in biochar modification to remove methylene blue (MB) dyes was compared with sodium dodecyl sulphate (SDS) surfactant for observing the important of – interactions mechanisms. The analysis of biochar and biochar-SDBS were conducted by using Fourier transform infrared (FTIR), CHNS elemental analysis, and scanning electron microscope (SEM). Furthermore, the adsorption experiments were conducted using UV-Vis spectrophotometer. It is known that modification using SDBS could increase the adsorption capacity of biochar not only from electrostatic interaction but also through – interactions mechanisms. In this respect, as the amount of SDBS mass increased, the adsorption capacity was also improved due to the modification produced more active cites on biochar. The maximum MB adsorption onto biochar-SDBS occurred at adsorbent mass of 15 mg with optimum pH value of 10. Copyright © 2021 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

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