Experimental and theoretical studies on the removal mechanism of formaldehyde from water by mesoporous calcium silicate

Optimized Anticorrosion of Polypyrrole Coating by Inverted-Electrode Strategy: Experimental and Molecular Dynamics Investigations

“…The diffusion of typical ions in ASW (i.e., Na + and Cl − ions) was further analyzed by time-dependent diffusion trajectories, which were calculated for evaluating the corrosion resistance of coatings in our previous work [ 50 , 51 , 52 ]. Moreover, the detailed values of diffusion coefficients of Na + ( D Na ) and Cl − ( D Cl ) ions are derived from the mean square displacement (MSD) that can be described by Einstein’s motion formulae [ 53 ]: where N denotes the number of species; R i (0) and R i (t) denote the position of diffusion particle at time 0 and t , respectively; D denotes the specific diffusion coefficient.…”

Efficient corrosion inhibition by sugarcane purple rind extract for carbon steel in HCl solution: mechanism analyses by experimental and in silico insights

“… 55 Notably, the decrease in Δ S * with an increase in the concentration of SPRE verifies that an ordered state of the system was progressively established due to the well-aligned adsorption of the inhibitor molecules. 56 …”

“…55 Notably, the decrease in DS* with an increase in the concentration of SPRE veries that an ordered state of the system was progressively established due to the well-aligned adsorption of the inhibitor molecules. 56 3.7 Theoretical simulation 3.7.1 DFT calculation. It has been established that the anticorrosive potency of an inhibitor is strictly related to its global and local reactive descriptors.…”

Water Purification of Classical and Emerging Organic Pollutants: An Extensive Review

“…In general, this step is performed through a chemical or thermal process. There are several possibilities to carry out the first of these two regeneration options: ultrasonication in acetone [6] or in methanol, followed by several washes in deionized water [7]; immersion in ethanol [8], also combined with water [9]; and by using mixtures that include acid/basic solutions [10][11][12][13][14][15]. Thermal evaporation is generally carried out at 100 • C [16,17].…”

“…Among these compounds, two main molecules can be identified: formaldehyde and acetaldehyde, since both of them are confirmed carcinogens. Wang et al [8] efficiently eliminated formaldehyde from water, with up to 99% removal efficiency, using a mesoporous calcium silicate hydrate (CSH). Salehi and Shafie [88] used adsorption to purify water from acetaldehyde by means of strong anionic resins, i.e., AMBERLITE IRA 402-OH, after a pre-treatment with bisulfite.…”