Ya Wang

University of Science and Technology Beijing

30 Xueyuan Road, Haidian District

beijing, 100083

China

SCHOLARLY PAPERS

2

DOWNLOADS

68

TOTAL CITATIONS

0

Scholarly Papers (2)

In Silico Models for Predicting Adsorption of Organic Pollutants on Microplastics by Combining Gcmc/Dft and Qsar Approach

Number of pages: 32 Posted: 12 Dec 2024
University of Science and Technology Beijing, University of Science and Technology Beijing - Department of Environmental Enginnering, Northeast Normal University, University of Science and Technology Beijing - Department of Environmental Enginnering, University of Science and Technology Beijing and University of Puerto Rico
Downloads 28 (1,082,075)

Abstract:

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Microplastics, adsorption, organic pollutants, grand canonical Monte Carlo (GCMC) simulation, density functional theory (DFT) calculations, quantitative structure activity relationship (QSAR) model

In Silico Models for Predicting Adsorption of Organic Pollutants on Microplastics by Combining Gcmc/Dft and Qsar Approach

Number of pages: 32 Posted: 11 Dec 2024
University of Science and Technology Beijing, University of Science and Technology Beijing - Department of Environmental Enginnering, Northeast Normal University, University of Science and Technology Beijing - Department of Environmental Enginnering, University of Science and Technology Beijing and University of Puerto Rico
Downloads 13 (1,280,059)

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microplastics, Adsorption, organic pollutants, grand canonical Monte Carlo (GCMC) simulation, density functional theory (DFT) calculations, quantitative structure activity relationship (QSAR) model

In Silico Models for Predicting Adsorption of Organic Pollutants on Microplastics by Combining Gcmc/Dft and Qsar Approach

Number of pages: 32 Posted: 13 Dec 2024
University of Science and Technology Beijing, University of Science and Technology Beijing - Department of Environmental Enginnering, Northeast Normal University, University of Science and Technology Beijing - Department of Environmental Enginnering, University of Science and Technology Beijing and University of Puerto Rico
Downloads 11 (1,304,406)

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Microplastics, Adsorption, organic pollutants, grand canonical Monte Carlo (GCMC) simulation, density functional theory (DFT) calculations, quantitative structure activity relationship (QSAR) model

2.

Pd-Modified Bi2o3 Catalyst for Efficient Co2 Electrolysis to Formic Acid

Number of pages: 29 Posted: 03 Jan 2025
affiliation not provided to SSRN, Tsinghua University, University of Science and Technology Beijing, affiliation not provided to SSRN, affiliation not provided to SSRN and Tsinghua University
Downloads 16 (1,199,579)

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CO2 electroreduction, formic acid, Bi2O3, In-situ ATR-SEIRAS spectroscopy,asymmetric low-frequency pulsed strategy