Thermodynamics of aqueous perfluorooctanoic acid (PFOA) and 4,8-dioxa-3H-perfluorononanoic acid (DONA) from DFT calculations: Insights into degradation initiation

Title
Thermodynamics of aqueous perfluorooctanoic acid (PFOA) and 4,8-dioxa-3H-perfluorononanoic acid (DONA) from DFT calculations: Insights into degradation initiation
Authors
Keywords
Hydroperfluorcarboxylic acid, Acid dissociation, Reduction potential, Bond dissociation, PFOA, DFT
Journal
CHEMOSPHERE
Volume 193, Issue -, Pages 1063-1070
Publisher
Elsevier BV
Online
2017-11-23
DOI
10.1016/j.chemosphere.2017.11.115

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