Computational methods for adsorption study in wastewater treatment
Computation methods or molecular simulations can be used to identify materials with high
adsorption capacity for wastewater treatment rapidly. They can also provide complementary …
adsorption capacity for wastewater treatment rapidly. They can also provide complementary …
Kinetics and TD-DFT calculations of base-catalyzed oxidation of acriflavine hydrochloride: Removal of dyes colors from wastewater
The oxidation kinetics of acriflavine hydrochloride (AFH) to nitro-acriflavine (N-AFH) by
KMnO 4 as oxidizing agent in sodium hydroxide medium at a constant ionic strength of 0.5 …
KMnO 4 as oxidizing agent in sodium hydroxide medium at a constant ionic strength of 0.5 …
Advanced green peel utilization for efficient methylene blue removal: Integrated analysis and predictive modeling
This study explores the adsorption of Methylene Blue (MB) onto Green Peel (GP) material,
utilizing advanced analytical techniques and modeling approaches. Fourier-transform …
utilizing advanced analytical techniques and modeling approaches. Fourier-transform …
Optimization and mechanistic insight of phenol removal using an effective green kaolin adsorbent through experimental and computational approaches
The discharge of phenols into the aquatic environment has detrimentally affected human
health and the aquatic ecosystem. Hence, removing phenols from polluted water bodies has …
health and the aquatic ecosystem. Hence, removing phenols from polluted water bodies has …
The sensing properties of asphyxiating gas molecules (CH4, CO and H2S) adsorption on GaP3 monolayer: A first principle study
Y Mao, N Li, H Chen, D Ding - Materials Today Communications, 2024 - Elsevier
In this work, we theoretically investigate the adsorption properties of three asphyxiating gas
molecules (CO, CH 4, and H 2 S) adsorption on monolayer GaP 3 and explore its feasibility …
molecules (CO, CH 4, and H 2 S) adsorption on monolayer GaP 3 and explore its feasibility …
Hollow ZIF-8 Nanomaterial Prepared via Core-Shell Etching Exhibits Exceptional Adsorption Performance for Malachite Green
YH Geng, MX Wen, RL Zhang, J Du, YY Liu… - Journal of Molecular …, 2024 - Elsevier
Metal-organic frameworks (MOFs) have attracted widespread attention due to their
distinctive structural attributes, such as expansive surface areas and the ease of chemical …
distinctive structural attributes, such as expansive surface areas and the ease of chemical …
Preparation and characterization of activated carbon from pine bark biomass for malachite green removal
Using agricultural waste to prepare biomass materials to remove pollutants has become a
research hotspot with the rise of the circular economy. This paper focused on the removal of …
research hotspot with the rise of the circular economy. This paper focused on the removal of …
Optoelectronic properties of acceptor fine-tuning via benzothiadiazole efficient DAA-based materials for solar cells with non-linear optical activity by TD-DFT method
A Arunkumar, XH Ju - Computational and Theoretical Chemistry, 2024 - Elsevier
Here, attempts have been made to create and investigate acceptor tuning (A) materials via
benzothiadiazole (BDT) that have higher efficiency for photovoltaic (PV). By structurally …
benzothiadiazole (BDT) that have higher efficiency for photovoltaic (PV). By structurally …
[PDF][PDF] Adsorption of Reactive Blue 13 from Dyeing Wastewater onto Mesoporous Carbon Xerogels.
H Lu, J Zhu, D Li, J Liu, R Yao, M Yao - Polish Journal of Environmental …, 2025 - pjoes.com
Carbon xerogel is a nano-scale adsorption material with abundant mesopores and large
adsorption capacity. A series of mesoporous carbon xerogels (MCX) were synthesized in the …
adsorption capacity. A series of mesoporous carbon xerogels (MCX) were synthesized in the …