FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000201102> ?p ?o ?g. }

• W2000201102 endingPage "394" @default.
• W2000201102 startingPage "386" @default.
• W2000201102 abstract "The mechanisms of methanol synthesis from CO and CO2 on Cu(111) and Pd(111) have been analyzed using the BOC-MP (bond-order-conservation-Morse-potential) approach. The analysis was based on calculations of the heats of chemisorption, Q, for all adsorbed species and the activation barriers, ΔE∗, for all elementary reactions believed to be involved in the synthesis of methanol from CO and CO2. The relevant experimental values of Q and ΔE∗, although scarce, agree well with the BOC-MP estimates. The formyl and formate routes to methanol were compared. On Cu(111), the activation barrier for hydrogenation of COs to HCOs is found to be much larger than that for the desorption of COs, which makes formyl formation non-competitive. By contrast, on Pd(111) the two barriers are calculated to be practically equal, making it very likely that formyl groups are formed. In the presence of OHs groups, formate formation via the reaction COs + OHs → HCOOs is found to have a low activation barrier, particularly on Cu(111), where the formate route to methanol is preferred. The rate determining step in this case is projected to be the hydrogenolysis of formate groups to form formaldehyde and atomic oxygen. On Cu(111) the formate route also appears to be efficient for the hydrogenation of CO2 to methanol, since the activation barrier for Hs + CO2,s → HCOOs is calculated to be smaller than that for desorption of CO2,s. The reverse is true for Pd(111), which makes the formate route to methanol energetically unfavorable in this case. The mechanism of the WGS reaction has also been considered. It appears that the reaction does not proceed via the formate intermediate, and the rate-determining step for this reaction is projected to be the dissociation of water. On Cu(111), the reverse WGS reaction is found to be competitive with methanol formation. The BOC-MP projections are generally consistent with the observed features of hydrogenation of CO and CO2 on Cu and Pd catalysts. Some apparent inconsistencies are pointed out and discussed." @default.
• W2000201102 created "2016-06-24" @default.
• W2000201102 creator A5087957929 @default.
• W2000201102 creator A5088517273 @default.
• W2000201102 date "1991-08-01" @default.
• W2000201102 modified "2023-10-18" @default.
• W2000201102 title "An analysis of methanol synthesis from CO and CO2 on Cu and Pd surfaces by the bond-order-conservation-Morse-potential approach" @default.
• W2000201102 cites W1497649302 @default.
• W2000201102 cites W1506966363 @default.
• W2000201102 cites W1967761840 @default.
• W2000201102 cites W1969111425 @default.
• W2000201102 cites W1969481381 @default.
• W2000201102 cites W1978979180 @default.
• W2000201102 cites W1990400438 @default.
• W2000201102 cites W1990891320 @default.
• W2000201102 cites W1995419788 @default.
• W2000201102 cites W1996803006 @default.
• W2000201102 cites W2000686699 @default.
• W2000201102 cites W2001366090 @default.
• W2000201102 cites W2002484280 @default.
• W2000201102 cites W2010796298 @default.
• W2000201102 cites W2013421363 @default.
• W2000201102 cites W2013872215 @default.
• W2000201102 cites W2015150098 @default.
• W2000201102 cites W2017605905 @default.
• W2000201102 cites W2021894005 @default.
• W2000201102 cites W2025347192 @default.
• W2000201102 cites W2027795426 @default.
• W2000201102 cites W2029055230 @default.
• W2000201102 cites W2035142413 @default.
• W2000201102 cites W2048200438 @default.
• W2000201102 cites W2054183785 @default.
• W2000201102 cites W2056783377 @default.
• W2000201102 cites W2056915065 @default.
• W2000201102 cites W2060900296 @default.
• W2000201102 cites W2065683666 @default.
• W2000201102 cites W2068277150 @default.
• W2000201102 cites W2085136762 @default.
• W2000201102 cites W2087839446 @default.
• W2000201102 cites W2089274304 @default.
• W2000201102 cites W2090770913 @default.
• W2000201102 cites W2091467859 @default.
• W2000201102 cites W2106940430 @default.
• W2000201102 cites W2134977547 @default.
• W2000201102 cites W2581706124 @default.
• W2000201102 cites W3023870120 @default.
• W2000201102 doi "https://doi.org/10.1016/0039-6028(91)90609-v" @default.
• W2000201102 hasPublicationYear "1991" @default.
• W2000201102 type Work @default.
• W2000201102 sameAs 2000201102 @default.
• W2000201102 citedByCount "69" @default.
• W2000201102 countsByYear W20002011022012 @default.
• W2000201102 countsByYear W20002011022014 @default.
• W2000201102 countsByYear W20002011022016 @default.
• W2000201102 countsByYear W20002011022017 @default.
• W2000201102 countsByYear W20002011022018 @default.
• W2000201102 countsByYear W20002011022019 @default.
• W2000201102 countsByYear W20002011022020 @default.
• W2000201102 crossrefType "journal-article" @default.
• W2000201102 hasAuthorship W2000201102A5087957929 @default.
• W2000201102 hasAuthorship W2000201102A5088517273 @default.
• W2000201102 hasConcept C147789679 @default.
• W2000201102 hasConcept C150394285 @default.
• W2000201102 hasConcept C161790260 @default.
• W2000201102 hasConcept C162711632 @default.
• W2000201102 hasConcept C178790620 @default.
• W2000201102 hasConcept C179104552 @default.
• W2000201102 hasConcept C181886296 @default.
• W2000201102 hasConcept C185592680 @default.
• W2000201102 hasConcept C2775930285 @default.
• W2000201102 hasConcept C2779607525 @default.
• W2000201102 hasConcept C2779870537 @default.
• W2000201102 hasConcept C2780178953 @default.
• W2000201102 hasConcept C33790079 @default.
• W2000201102 hasConceptScore W2000201102C147789679 @default.
• W2000201102 hasConceptScore W2000201102C150394285 @default.
• W2000201102 hasConceptScore W2000201102C161790260 @default.
• W2000201102 hasConceptScore W2000201102C162711632 @default.
• W2000201102 hasConceptScore W2000201102C178790620 @default.
• W2000201102 hasConceptScore W2000201102C179104552 @default.
• W2000201102 hasConceptScore W2000201102C181886296 @default.
• W2000201102 hasConceptScore W2000201102C185592680 @default.
• W2000201102 hasConceptScore W2000201102C2775930285 @default.
• W2000201102 hasConceptScore W2000201102C2779607525 @default.
• W2000201102 hasConceptScore W2000201102C2779870537 @default.
• W2000201102 hasConceptScore W2000201102C2780178953 @default.
• W2000201102 hasConceptScore W2000201102C33790079 @default.
• W2000201102 hasIssue "1-3" @default.
• W2000201102 hasLocation W20002011021 @default.
• W2000201102 hasOpenAccess W2000201102 @default.
• W2000201102 hasPrimaryLocation W20002011021 @default.
• W2000201102 hasRelatedWork W1572533204 @default.
• W2000201102 hasRelatedWork W2000201102 @default.
• W2000201102 hasRelatedWork W2019764198 @default.
• W2000201102 hasRelatedWork W2052850067 @default.
• W2000201102 hasRelatedWork W2059301935 @default.
• W2000201102 hasRelatedWork W2067149733 @default.
• W2000201102 hasRelatedWork W2070694224 @default.

• next