Computational insights into the sorption mechanism of environmental contaminants by carbon nanoparticles through molecular dynamics simulation and density functional theory-Reference-Cited by-同舟云学术

Computational insights into the sorption mechanism of environmental contaminants by carbon nanoparticles through molecular dynamics simulation and density functional theory

Published:2020 Issue:46 Volume:22 Page:27308-27319
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gao Zisen¹²³⁴⁵,Hu Baichun¹²³⁴⁵,Wang Hanxun¹²³⁴⁵,Wang Jian¹²³⁴⁵^ORCID,Cheng Maosheng¹²³⁴⁵

Affiliation:

1. Key Laboratory of Structure-Based Drug Design & Discovery

2. Ministry of Education

3. Shenyang Pharmaceutical University

4. Shenyang 110016

5. P. R. China

Abstract

Carbon nanomaterials like carbon nanotube, graphene or graphene oxide could significantly enhance contaminant sorption in aqueous solutions, offering a promising opportunity in water and air purification for removal of environmental contaminants.

Funder

Overseas Expertise Introduction Project for Discipline Innovation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP03459B

Reference32 articles.

1. Dendritic mesoporous carbon nanoparticles for ultrahigh and fast adsorption of anthracene

2. Efficacy of carbonaceous nanocomposites for sorbing ionizable antibiotic sulfamethazine from aqueous solution

3. A critical review of clay-based composites with enhanced adsorption performance for metal and organic pollutants