Langmuir : the ACS journal of surfaces and colloids
Adsorption of Per- and Polyfluoroalkyl Substances on Gibbsite: Insights from First-Principles Molecular Dynamics Simulations.
Ziheng Zhang, Yongliang Xu, Xinran Liu, Yuntao Yuan, Mengning Xi, Shaohua Cao, Chi Zhang
Published: 202510.1021/acs.langmuir.5c02485
Abstract
The complexation onto Al oxide is critical in governing the retention and environmental fate of per- and polyfluoroalkyl substances (PFAS), yet molecular-scale mechanisms remain poorly understood. This study employs first-principles molecular dynamic…
Preview only. Read the full abstract at the source