Journal of hazardous materials
ReaxFF simulation of the degradation mechanism of perfluorononanoic acid (PFNA) by supercritical water oxidation.
Hao-Long Su, Guang-Yuan Zhang, Xiao Ma, Yun-Hui Hou, Yuan-Ping Zhang, Hong-Jiang Wang, Jing Sun, Liang Song
Published: 202610.1016/j.jhazmat.2026.141214
Abstract
Perfluorononanoic acid (PFNA), often referred to as one of the "forever chemicals", is found globally, and supercritical water oxidation (SCWO) presents a promising method for their degradation. In this study, the C/H/O/F ReaxFF force field developed…
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