FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2955742385> ?p ?o ?g. }

• W2955742385 endingPage "8681" @default.
• W2955742385 startingPage "8672" @default.
• W2955742385 abstract "Thermally activated persulfate is a promising oxidant for in situ remediation of perfluorooctanoic acid (PFOA), yet a comprehensive understanding of the degradation mechanism is still lacking. In this study, we used density functional theory (DFT) calculations and experimental data to map entire reaction pathways for the degradation of PFOA by persulfate, with specific considerations on the influence of pH. The DFT results showed that the rate-limiting step was the first electron abstraction from PFOA, yet the generation of SO4•– from the decomposition of persulfate contributed a large part of the free energy of activation (ΔG‡) for the overall reaction. The subsequent steps did not contribute to the ΔG‡. For the electron abstraction from PFOA, we investigated reactions using protonated and deprotonated species of PFOA and SO4•– and showed that the reaction of anionic PFOA with HSO4• was most favorable with a ΔG‡ of 7.2 kJ/mol. This explains why low pH (<3.5) is a sine qua non condition for the degradation of PFOA by persulfate. The overall ΔG‡ derived theoretically based on the pathway involved HSO4• was consistent with the ΔG‡ determined experimentally. This study provides valuable insight into remediation strategies that include persulfate as an oxidizing agent for perfluoroalkyl carboxylic acids." @default.
• W2955742385 created "2019-07-12" @default.
• W2955742385 creator A5030574495 @default.
• W2955742385 creator A5039953489 @default.
• W2955742385 creator A5068508198 @default.
• W2955742385 creator A5090449124 @default.
• W2955742385 date "2019-06-25" @default.
• W2955742385 modified "2023-10-17" @default.
• W2955742385 title "New Insights into the Degradation Mechanism of Perfluorooctanoic Acid by Persulfate from Density Functional Theory and Experimental Data" @default.
• W2955742385 cites W1582265535 @default.
• W2955742385 cites W1973163768 @default.
• W2955742385 cites W1974355116 @default.
• W2955742385 cites W1983879225 @default.
• W2955742385 cites W1987552593 @default.
• W2955742385 cites W1990257642 @default.
• W2955742385 cites W1997622342 @default.
• W2955742385 cites W2002298964 @default.
• W2955742385 cites W2010172098 @default.
• W2955742385 cites W2011215428 @default.
• W2955742385 cites W2015338499 @default.
• W2955742385 cites W2028097727 @default.
• W2955742385 cites W2032578873 @default.
• W2955742385 cites W2038158587 @default.
• W2955742385 cites W2039254227 @default.
• W2955742385 cites W2040534411 @default.
• W2955742385 cites W2042499851 @default.
• W2955742385 cites W2044748700 @default.
• W2955742385 cites W2048035963 @default.
• W2955742385 cites W2054929131 @default.
• W2955742385 cites W2066922036 @default.
• W2955742385 cites W2067287961 @default.
• W2955742385 cites W2081709688 @default.
• W2955742385 cites W2085336624 @default.
• W2955742385 cites W2089943825 @default.
• W2955742385 cites W2091101930 @default.
• W2955742385 cites W2113631228 @default.
• W2955742385 cites W2134960252 @default.
• W2955742385 cites W2139889757 @default.
• W2955742385 cites W2156774955 @default.
• W2955742385 cites W2167567374 @default.
• W2955742385 cites W2195656090 @default.
• W2955742385 cites W2220876274 @default.
• W2955742385 cites W2324583584 @default.
• W2955742385 cites W2331201881 @default.
• W2955742385 cites W2480204771 @default.
• W2955742385 cites W2497102241 @default.
• W2955742385 cites W2604767696 @default.
• W2955742385 cites W2727923256 @default.
• W2955742385 cites W2765352572 @default.
• W2955742385 cites W2786152615 @default.
• W2955742385 cites W2795689460 @default.
• W2955742385 cites W2801190942 @default.
• W2955742385 cites W3021518424 @default.
• W2955742385 cites W3099843126 @default.
• W2955742385 doi "https://doi.org/10.1021/acs.est.9b00797" @default.
• W2955742385 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31290654" @default.
• W2955742385 hasPublicationYear "2019" @default.
• W2955742385 type Work @default.
• W2955742385 sameAs 2955742385 @default.
• W2955742385 citedByCount "76" @default.
• W2955742385 countsByYear W29557423852020 @default.
• W2955742385 countsByYear W29557423852021 @default.
• W2955742385 countsByYear W29557423852022 @default.
• W2955742385 countsByYear W29557423852023 @default.
• W2955742385 crossrefType "journal-article" @default.
• W2955742385 hasAuthorship W2955742385A5030574495 @default.
• W2955742385 hasAuthorship W2955742385A5039953489 @default.
• W2955742385 hasAuthorship W2955742385A5068508198 @default.
• W2955742385 hasAuthorship W2955742385A5090449124 @default.
• W2955742385 hasConcept C107872376 @default.
• W2955742385 hasConcept C124681953 @default.
• W2955742385 hasConcept C147597530 @default.
• W2955742385 hasConcept C152365726 @default.
• W2955742385 hasConcept C161790260 @default.
• W2955742385 hasConcept C178790620 @default.
• W2955742385 hasConcept C179104552 @default.
• W2955742385 hasConcept C185592680 @default.
• W2955742385 hasConcept C2775979320 @default.
• W2955742385 hasConcept C2778729139 @default.
• W2955742385 hasConcept C2779679103 @default.
• W2955742385 hasConcept C41008148 @default.
• W2955742385 hasConcept C65024703 @default.
• W2955742385 hasConcept C75473681 @default.
• W2955742385 hasConcept C76155785 @default.
• W2955742385 hasConcept C77176794 @default.
• W2955742385 hasConceptScore W2955742385C107872376 @default.
• W2955742385 hasConceptScore W2955742385C124681953 @default.
• W2955742385 hasConceptScore W2955742385C147597530 @default.
• W2955742385 hasConceptScore W2955742385C152365726 @default.
• W2955742385 hasConceptScore W2955742385C161790260 @default.
• W2955742385 hasConceptScore W2955742385C178790620 @default.
• W2955742385 hasConceptScore W2955742385C179104552 @default.
• W2955742385 hasConceptScore W2955742385C185592680 @default.
• W2955742385 hasConceptScore W2955742385C2775979320 @default.
• W2955742385 hasConceptScore W2955742385C2778729139 @default.
• W2955742385 hasConceptScore W2955742385C2779679103 @default.
• W2955742385 hasConceptScore W2955742385C41008148 @default.
• W2955742385 hasConceptScore W2955742385C65024703 @default.

• next