Comparison and performance assessment of ozone-based AOPs in view of trace organic contaminants abatement in water and wastewater: a review

Z Liu, K Demeestere, S Van Hulle - Journal of Environmental Chemical …, 2021 - Elsevier
Trace organic contaminants (TrOCs) have been increasingly found in the aquatic
environment and their potential health risk on human and wildlife has attracted more …

Micropollutant abatement by the UV/chloramine process in potable water reuse: A review

Z Cao, X Yu, Y Zheng, E Aghdam, B Sun… - Journal of Hazardous …, 2022 - Elsevier
The need in using reclaimed water increased significantly to address the water shortage and
its continuing quality deterioration in sustaining societal development. Degrading …

Shedding light on “Black Box” machine learning models for predicting the reactivity of HO radicals toward organic compounds

S Zhong, K Zhang, D Wang, H Zhang - Chemical Engineering Journal, 2021 - Elsevier
Developing quantitative structure-activity relationships (QSARs) is an important approach to
predicting the reactivity of HO radicals toward newly emerged organic compounds. As …

A deep neural network combined with molecular fingerprints (DNN-MF) to develop predictive models for hydroxyl radical rate constants of water contaminants

S Zhong, J Hu, X Fan, X Yu, H Zhang - Journal of hazardous materials, 2020 - Elsevier
This work combined a Deep Neural Network (DNN) with molecular fingerprints (MF) to
develop models to predict the OH radical dot radical rate constants of 593 organic …

Roles and knowledge gaps of point-of-use technologies for mitigating health risks from disinfection byproducts in tap water: a critical review

B Chen, J Jiang, X Yang, X Zhang, P Westerhoff - Water research, 2021 - Elsevier
Due to rising concerns about water pollution and affordability, there is a rapidly-growing
public acceptance and global market for a variety of point-of-use (POU) devices for domestic …

A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints

H Wen, Y Su, Z Wang, S Jin, J Ren, W Shen… - AIChE …, 2022 - Wiley Online Library
Deep neural networks (DNNs) based quantitative structure–property relationship (QSPR)
studies are receiving increasing attention due to their excellent performances. A systematic …

QSPR prediction of the hydroxyl radical rate constant of water contaminants

TNG Borhani, M Saniedanesh, M Bagheri, JS Lim - Water research, 2016 - Elsevier
In advanced oxidation processes (AOPs), the aqueous hydroxyl radical (HOradical dot) acts
as a strong oxidant to react with organic contaminants. The hydroxyl radical rate constant (k …

Rate constants of hydroxyl radicals reaction with different dissociation species of fluoroquinolones and sulfonamides: Combined experimental and QSAR studies

X Luo, X Wei, J Chen, Q Xie, X Yang… - Water Research, 2019 - Elsevier
Hydroxyl radicals (· OH) initiated degradation is an important process governing fate of
aquatic organic micropollutants (OMPs). However, rate constants for aqueous reaction of …

Quantitative structure-activity relationship models for predicting reaction rate constants of organic contaminants with hydrated electrons and their mechanistic …

C Li, S Zheng, T Li, J Chen, J Zhou, L Su, YN Zhang… - Water research, 2019 - Elsevier
The hydrated electron (e aq−)-based reduction processes are promising for removing
organic pollutants in water engineering systems. The reductive kinetics, especially the …

Micropollutant degradation by UV/H2O2 in drinking water: Facilitated prediction through combination of model simulation and portable measurement

Y Huang, Z Qiang, Z Sun, M Li - Water Research, 2022 - Elsevier
Ultraviolet-based advanced oxidation processes (UV-AOPs) are highly effective for
micropollutant degradation. However, it is considerably time and labor consuming to …