A5056108765- Advanced oxidation water treatment
- Advanced Photocatalysis Techniques
- Nanopore and Nanochannel Transport Studies
- TiO2 Photocatalysis and Solar Cells
- Pharmaceutical and Antibiotic Environmental Impacts
- Carbon Nanotubes in Composites
- Graphene research and applications
- Gas Sensing Nanomaterials and Sensors
- Adsorption and biosorption for pollutant removal
- Sulfur Compounds in Biology
- Water Treatment and Disinfection
- Industrial Technology and Control Systems
- Free Radicals and Antioxidants
- Industrial Gas Emission Control
- Thermochemical Biomass Conversion Processes
- Electronic and Structural Properties of Oxides
- Water Quality Monitoring and Analysis
- Electrochemical Analysis and Applications
National University of Singapore
2020-2022
Tsinghua University
2015-2016
State Key Joint Laboratory of Environment Simulation and Pollution Control
2015
The linear solvation energy relationship (LSER) was applied to predict the adsorption coefficient (K) of synthetic organic compounds (SOCs) on single-walled carbon nanotubes (SWCNTs). A total 40 log K values were used develop and validate LSER model. data for 34 SOCs collected from 13 published articles other six obtained in our experiment. optimal model composed four descriptors developed by a stepwise multiple regression (MLR) method. adjusted r2 (r2adj) root mean square error (RMSE) 0.84...
We have conducted MD simulations and RDG calculations to reveal the mechanisms of simple aromatic compounds adsorption on SWCNTs.
Predicting the second-order rate constants between aromatic contaminants and a sulfate radical (kSO4•−) is vital for screening of pollutants resistant to radical-based advanced oxidation processes. In this study, quantitative structure-activity relationship (QSAR) model was developed predict values contaminants. The logkSO4•− three molecular descriptors (electron density, steric energy, ratio oxygen atoms carbon atoms) built through multiple linear regression. goodness-of-fit, robustness,...
The interactions between inorganic anions and TiO2 surface are vital to the understanding of how in water matrix affect performance TiO2-based photocatalytic process. However, analysis such at molecular scale is quite limited. In this study, adsorption four (chloride, sulfate, bicarbonate peroxydisulfate) on anatase TiO2(101) was computed with density functional theory. configuration, energy charge transfer adsorbed were used analyze interactions. Density states absorption spectrum compared...