Matches in SemOpenAlex for { <https://semopenalex.org/work/W2977260090> ?p ?o ?g. }
- W2977260090 endingPage "2516" @default.
- W2977260090 startingPage "2510" @default.
- W2977260090 abstract "Piperazine (Pz) mixed with other amines is a proposed carbon capture solvent, but there is concern about the impact of Pz on air quality, including the potential to produce toxic products. Here, the •OH initiated oxidation of Pz has been studied by ab initio modeling and RRKM/master equation kinetic simulations. The Pz + •OH reaction is found to proceed at around the capture rate, consistent with experiment, with abstraction predominantly from C–H sites, forming an alkyl radical (PzC). The subsequent reaction kinetics of carbon-centered Pz radicals with O2 are also studied, so as to determine the first-generation oxidation products. We find that the PzC radical predominantly reacts with O2 to produce a cyclic imine product + HO2• under tropospheric conditions, with the stabilized peroxyl radical formed as a minor product. Subsequent reaction of the peroxyl radical with NO produces an alkoxyl radical that can react with O2 to yield a cyclic amide or undergo unimolecular ring opening followed by a second O2 addition/HO2• elimination step to produce CH2═NCH2CH2NHCHO." @default.
- W2977260090 created "2019-10-10" @default.
- W2977260090 creator A5002605925 @default.
- W2977260090 creator A5004403965 @default.
- W2977260090 date "2019-09-30" @default.
- W2977260090 modified "2023-10-17" @default.
- W2977260090 title "Atmospheric Oxidation of Piperazine Initiated by OH: A Theoretical Kinetics Investigation" @default.
- W2977260090 cites W1034187476 @default.
- W2977260090 cites W1594097908 @default.
- W2977260090 cites W1965678206 @default.
- W2977260090 cites W1965808975 @default.
- W2977260090 cites W1985864193 @default.
- W2977260090 cites W1997171443 @default.
- W2977260090 cites W1997763927 @default.
- W2977260090 cites W2000784263 @default.
- W2977260090 cites W2004704198 @default.
- W2977260090 cites W2005801777 @default.
- W2977260090 cites W2012165618 @default.
- W2977260090 cites W2014452947 @default.
- W2977260090 cites W2031529188 @default.
- W2977260090 cites W2041903607 @default.
- W2977260090 cites W2062608284 @default.
- W2977260090 cites W2063570106 @default.
- W2977260090 cites W2075711588 @default.
- W2977260090 cites W2078436483 @default.
- W2977260090 cites W2079875644 @default.
- W2977260090 cites W2082249977 @default.
- W2977260090 cites W2120285827 @default.
- W2977260090 cites W2120834437 @default.
- W2977260090 cites W2130861802 @default.
- W2977260090 cites W2136939531 @default.
- W2977260090 cites W2142238864 @default.
- W2977260090 cites W2314905112 @default.
- W2977260090 cites W2317778800 @default.
- W2977260090 cites W2319185561 @default.
- W2977260090 cites W2321160680 @default.
- W2977260090 cites W2328775853 @default.
- W2977260090 cites W2332086337 @default.
- W2977260090 cites W2334266733 @default.
- W2977260090 cites W2489910595 @default.
- W2977260090 cites W2605456403 @default.
- W2977260090 cites W2784350055 @default.
- W2977260090 cites W2887941539 @default.
- W2977260090 cites W2924671725 @default.
- W2977260090 cites W2940479158 @default.
- W2977260090 cites W2956157145 @default.
- W2977260090 cites W3198959355 @default.
- W2977260090 doi "https://doi.org/10.1021/acsearthspacechem.9b00227" @default.
- W2977260090 hasPublicationYear "2019" @default.
- W2977260090 type Work @default.
- W2977260090 sameAs 2977260090 @default.
- W2977260090 citedByCount "9" @default.
- W2977260090 countsByYear W29772600902020 @default.
- W2977260090 countsByYear W29772600902021 @default.
- W2977260090 countsByYear W29772600902022 @default.
- W2977260090 countsByYear W29772600902023 @default.
- W2977260090 crossrefType "journal-article" @default.
- W2977260090 hasAuthorship W2977260090A5002605925 @default.
- W2977260090 hasAuthorship W2977260090A5004403965 @default.
- W2977260090 hasBestOaLocation W29772600902 @default.
- W2977260090 hasConcept C121332964 @default.
- W2977260090 hasConcept C134121241 @default.
- W2977260090 hasConcept C139066938 @default.
- W2977260090 hasConcept C148898269 @default.
- W2977260090 hasConcept C155647269 @default.
- W2977260090 hasConcept C178790620 @default.
- W2977260090 hasConcept C185592680 @default.
- W2977260090 hasConcept C2776201271 @default.
- W2977260090 hasConcept C2778439535 @default.
- W2977260090 hasConcept C2780263894 @default.
- W2977260090 hasConcept C62520636 @default.
- W2977260090 hasConcept C75473681 @default.
- W2977260090 hasConcept C90150868 @default.
- W2977260090 hasConcept C93391505 @default.
- W2977260090 hasConcept C97355855 @default.
- W2977260090 hasConceptScore W2977260090C121332964 @default.
- W2977260090 hasConceptScore W2977260090C134121241 @default.
- W2977260090 hasConceptScore W2977260090C139066938 @default.
- W2977260090 hasConceptScore W2977260090C148898269 @default.
- W2977260090 hasConceptScore W2977260090C155647269 @default.
- W2977260090 hasConceptScore W2977260090C178790620 @default.
- W2977260090 hasConceptScore W2977260090C185592680 @default.
- W2977260090 hasConceptScore W2977260090C2776201271 @default.
- W2977260090 hasConceptScore W2977260090C2778439535 @default.
- W2977260090 hasConceptScore W2977260090C2780263894 @default.
- W2977260090 hasConceptScore W2977260090C62520636 @default.
- W2977260090 hasConceptScore W2977260090C75473681 @default.
- W2977260090 hasConceptScore W2977260090C90150868 @default.
- W2977260090 hasConceptScore W2977260090C93391505 @default.
- W2977260090 hasConceptScore W2977260090C97355855 @default.
- W2977260090 hasFunder F4320334704 @default.
- W2977260090 hasIssue "11" @default.
- W2977260090 hasLocation W29772600901 @default.
- W2977260090 hasLocation W29772600902 @default.
- W2977260090 hasOpenAccess W2977260090 @default.
- W2977260090 hasPrimaryLocation W29772600901 @default.
- W2977260090 hasRelatedWork W1965466195 @default.
- W2977260090 hasRelatedWork W1989660440 @default.