Experimental and molecular dynamic simulation study of perfluorooctane sulfonate adsorption on soil and sediment components

Journal of Environmental Sciences (China)
Ruiming ZhangChuanyong Jing

Abstract

Soil and sediment play a crucial role in the fate and transport of perfluorooctane sulfonate (PFOS) in the environment. However, the molecular mechanisms of major soil/sediment components on PFOS adsorption remain unclear. This study experimentally isolated three major components in soil/sediment: humin/kerogen, humic/fulvic acid (HA/FA), and inorganic component after removing organics, and explored their contributions to PFOS adsorption using batch adsorption experiments and molecular dynamic simulations. The results suggest that the humin/kerogen component dominated the PFOS adsorption due to its aliphatic features where hydrophobic effect and phase transfer are the primary adsorption mechanism. Compared with the humin/kerogen, the HA/FA component contributed less to the PFOS adsorption because of its hydrophilic and polar characteristics. The electrostatic repulsion between the polar groups of HA/FA and PFOS anions was attributable to the reduced PFOS adsorption. When the soil organic matter was extracted, the inorganic component also plays a non-negligible role because PFOS molecules might form surface complexes on SiO2 surface. The findings obtained in this study illustrate the contribution of organic matters in soils and ...Continue Reading

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Citations

May 1, 2020·Environmental Science and Pollution Research International·Nan ZhaoHao Ling
Feb 18, 2020·Journal of Environmental Management·Reza Mahinroosta, Lalantha Senevirathna
Dec 11, 2020·Journal of Colloid and Interface Science·Jennifer A R Willemsen, Ian C Bourg
Aug 30, 2019·Environmental Science & Technology·Mark L BrusseauKenneth C Carroll
Sep 26, 2020·Environmental Science & Technology·Ni YanMark L Brusseau

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