Matches in SemOpenAlex for { <https://semopenalex.org/work/W4283580475> ?p ?o ?g. }
- W4283580475 endingPage "125047" @default.
- W4283580475 startingPage "125047" @default.
- W4283580475 abstract "Vinyl acetate (VA) is an important organic chemical material, which is mainly obtained from ethylene acetoxylation. The raw material, ethylene, usually contains a small amount of acetylene. To understand the effect of acetylene on vinyl acetate system, we used density functional theory (DFT) to explore the pathways and the main products of acetylene conversion on PdAu(1 0 0) surface. DFT calculation results suggest that acetylene is quite active on PdAu(1 0 0) surface and the Pd-Au catalyst can catalyze the oxidation, hydrogenation and polymerization reaction of acetylene. In all reactions, oxidation reaction is the most likely to occur due to low energy barrier. CO2 and aldehydes as oxidation products will exist simultaneously in the reaction system. Hydrogenation and polymerization of acetylene have a mute effect on vinyl acetate system. We can draw a preliminary conclusion that trace acetylene has little effect on vinyl acetate system." @default.
- W4283580475 created "2022-06-28" @default.
- W4283580475 creator A5035684276 @default.
- W4283580475 creator A5073501391 @default.
- W4283580475 creator A5080308075 @default.
- W4283580475 date "2022-10-01" @default.
- W4283580475 modified "2023-10-12" @default.
- W4283580475 title "Theoretical insight into the effect of impurity on the acetoxylation of ethylene to form vinyl acetate: A DFT study of acetylene coversion on PdAu(1 0 0) surface" @default.
- W4283580475 cites W180528424 @default.
- W4283580475 cites W1968634298 @default.
- W4283580475 cites W1970635434 @default.
- W4283580475 cites W1979105135 @default.
- W4283580475 cites W1979914819 @default.
- W4283580475 cites W1981113250 @default.
- W4283580475 cites W1981694258 @default.
- W4283580475 cites W1991149034 @default.
- W4283580475 cites W2002450637 @default.
- W4283580475 cites W2003449600 @default.
- W4283580475 cites W2004546166 @default.
- W4283580475 cites W2008306083 @default.
- W4283580475 cites W2008681371 @default.
- W4283580475 cites W2016998351 @default.
- W4283580475 cites W2030033701 @default.
- W4283580475 cites W2030939004 @default.
- W4283580475 cites W2032532868 @default.
- W4283580475 cites W2036113194 @default.
- W4283580475 cites W2039948490 @default.
- W4283580475 cites W2043390423 @default.
- W4283580475 cites W2044595711 @default.
- W4283580475 cites W2044842617 @default.
- W4283580475 cites W2053805805 @default.
- W4283580475 cites W2061270747 @default.
- W4283580475 cites W2062696577 @default.
- W4283580475 cites W2066731978 @default.
- W4283580475 cites W2069064490 @default.
- W4283580475 cites W2071189624 @default.
- W4283580475 cites W2072994589 @default.
- W4283580475 cites W2086192110 @default.
- W4283580475 cites W2088500096 @default.
- W4283580475 cites W2088955290 @default.
- W4283580475 cites W2090425609 @default.
- W4283580475 cites W2092533001 @default.
- W4283580475 cites W2093296111 @default.
- W4283580475 cites W2100657568 @default.
- W4283580475 cites W2261817946 @default.
- W4283580475 cites W2285885412 @default.
- W4283580475 cites W2353375319 @default.
- W4283580475 cites W2469146470 @default.
- W4283580475 cites W2597797353 @default.
- W4283580475 cites W2623234881 @default.
- W4283580475 cites W2783584700 @default.
- W4283580475 cites W2893306684 @default.
- W4283580475 cites W2903751378 @default.
- W4283580475 cites W2916749741 @default.
- W4283580475 cites W2925791881 @default.
- W4283580475 cites W2952967611 @default.
- W4283580475 cites W2970083657 @default.
- W4283580475 cites W4205281130 @default.
- W4283580475 cites W4229666002 @default.
- W4283580475 doi "https://doi.org/10.1016/j.fuel.2022.125047" @default.
- W4283580475 hasPublicationYear "2022" @default.
- W4283580475 type Work @default.
- W4283580475 citedByCount "3" @default.
- W4283580475 countsByYear W42835804752023 @default.
- W4283580475 crossrefType "journal-article" @default.
- W4283580475 hasAuthorship W4283580475A5035684276 @default.
- W4283580475 hasAuthorship W4283580475A5073501391 @default.
- W4283580475 hasAuthorship W4283580475A5080308075 @default.
- W4283580475 hasConcept C147597530 @default.
- W4283580475 hasConcept C152365726 @default.
- W4283580475 hasConcept C15920480 @default.
- W4283580475 hasConcept C161790260 @default.
- W4283580475 hasConcept C178790620 @default.
- W4283580475 hasConcept C185592680 @default.
- W4283580475 hasConcept C206139338 @default.
- W4283580475 hasConcept C2776093513 @default.
- W4283580475 hasConcept C2777517455 @default.
- W4283580475 hasConcept C2778597550 @default.
- W4283580475 hasConcept C2780762185 @default.
- W4283580475 hasConcept C44228677 @default.
- W4283580475 hasConcept C521977710 @default.
- W4283580475 hasConcept C75473681 @default.
- W4283580475 hasConceptScore W4283580475C147597530 @default.
- W4283580475 hasConceptScore W4283580475C152365726 @default.
- W4283580475 hasConceptScore W4283580475C15920480 @default.
- W4283580475 hasConceptScore W4283580475C161790260 @default.
- W4283580475 hasConceptScore W4283580475C178790620 @default.
- W4283580475 hasConceptScore W4283580475C185592680 @default.
- W4283580475 hasConceptScore W4283580475C206139338 @default.
- W4283580475 hasConceptScore W4283580475C2776093513 @default.
- W4283580475 hasConceptScore W4283580475C2777517455 @default.
- W4283580475 hasConceptScore W4283580475C2778597550 @default.
- W4283580475 hasConceptScore W4283580475C2780762185 @default.
- W4283580475 hasConceptScore W4283580475C44228677 @default.
- W4283580475 hasConceptScore W4283580475C521977710 @default.
- W4283580475 hasConceptScore W4283580475C75473681 @default.
- W4283580475 hasLocation W42835804751 @default.
- W4283580475 hasOpenAccess W4283580475 @default.