Density functional theory study of hydrophobic zeolites for the removal of triclosan from aqueous solution-Reference-Cited by-同舟云学术

Density functional theory study of hydrophobic zeolites for the removal of triclosan from aqueous solution

Published:2023 Issue:8 Volume:2 Page:1082-1098
ISSN:2754-7000
Container-title:Environmental Science: Advances
language:en
Short-container-title:Environ. Sci.: Adv.

Author:

Fischer Michael¹²^ORCID

Affiliation:

1. Crystallography & Geomaterials Research, Faculty of Geosciences, University of Bremen, Klagenfurter Straße 2-4, 28359 Bremen, Germany

2. Bremen Center for Computational Materials Science and MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen, Germany

Abstract

The adsorption of triclosan in highly siliceous zeolites was studied with electronic structure calculations, delivering insights into the impact of pore size, shape, and hydrophobicity on the affinity towards this emerging organic contaminant.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Water Science and Technology,Environmental Chemistry,Environmental Engineering

Link

http://pubs.rsc.org/en/content/articlepdf/2023/VA/D3VA00078H

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