Machine learning for electrocatalyst and photocatalyst design and discovery

H Mai, TC Le, D Chen, DA Winkler… - Chemical …, 2022 - ACS Publications
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

[HTML][HTML] Review of activated carbon adsorbent material for textile dyes removal: Preparation, and modelling

S Husien, RM El-taweel, AI Salim, IS Fahim… - Current Research in …, 2022 - Elsevier
Water contamination with colours and heavy metals from textile effluents has harmed the
ecology and food chain, with mutagenic and carcinogenic effects on human health. As a …

Adsorption and effective removal of organophosphorus pesticides from aqueous solution via novel metal-organic framework: Adsorption isotherms, kinetics, and …

SH Alrefaee, M Aljohani, K Alkhamis, F Shaaban… - Journal of Molecular …, 2023 - Elsevier
The purpose of this study was to examine the efficiency of a tin-metal organic framework (Sn-
MOF) to remove the organophosphate pesticide diazinon (DZ) from water. The results of the …

Emerging pollutants and their removal using visible-light responsive photocatalysis–a comprehensive review

S Ahmed, FSA Khan, NM Mubarak, M Khalid… - Journal of …, 2021 - Elsevier
Emerging pollutants (EP) are the group of contaminants newly detected in aquatic
environments around the globe. Conventional water purification systems are less efficient in …

Calcium alginate hydrogels reinforced with cellulose nanocrystals for methylene blue adsorption: Synthesis, characterization, and modelling

S Soleimani, A Heydari, M Fattahi… - Industrial Crops and …, 2023 - Elsevier
Water contamination due to the artificial dyes from domestic and industrial wastewater is one
of the most crucial environmental issues and problems that the use of an effective adsorbent …

Adsorptive removal of acid red 18 dye from aqueous solution using hexadecyl-trimethyl ammonium chloride modified nano-pumice

M Kasraee, MH Dehghani, F Hamidi, NM Mubarak… - Scientific Reports, 2023 - nature.com
Discharging untreated dye-containing wastewater gives rise to environmental pollution. The
present study investigated the removal efficiency and adsorption mechanism of Acid Red 18 …

Adsorption of Cr (VI) from aqueous solution using mesoporous metal-organic framework-5 functionalized with the amino acids: Characterization, optimization, linear …

M Babapour, MH Dehghani, M Alimohammadi… - Journal of Molecular …, 2022 - Elsevier
In the past decades, an extensive effort has been devoted to remove Hexavalent chromium
H (Cr (VI)) from industrial effluents, owning to its great health concerns to humans and the …

Adsorptive removal of Cr (VI) by chitosan-SiO2-TiO2 nanocomposite

REK Billah, A Shekhawat, S Mansouri… - Environmental …, 2022 - Elsevier
A bio-nanocomposite was synthesized by incorporating amorphous SiO 2 and
nanocrystalline TiO 2 into chitosan matrix using glutaraldehyde crosslinker (CsC@ SiO 2 …

Experimental and numerical study on diazinon removal using plasma bubble column reactor: Modeling, kinetics, mechanisms, and degradation products

H Moradi, DS Kim, SH Kim, YY Chang, JK Yang… - Journal of …, 2022 - Elsevier
Diazinone is the most commonly used pesticide worldwide. In this study, experimental and
numerical analyses were employed to model and optimize the degradation and …

An advanced combination of density functional theory simulations and statistical physics modeling in the unveiling and prediction of adsorption mechanisms of 2, 4-D …

Y Vieira, C Schnorr, AC Piazzi, MS Netto… - Journal of Molecular …, 2022 - Elsevier
In this study, six statistical physics (sta-phy) models were used to further describe and
enlighten the mechanisms behind the adsorption of a low interaction model molecule …