FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023000128> ?p ?o ?g. }

• W2023000128 endingPage "1731" @default.
• W2023000128 startingPage "1725" @default.
• W2023000128 abstract "The adsorption of several quadrupolar and nonpolar gases on the Metal Organic Framework Cu-BTC has been studied by combining experimental measurements and Monte Carlo simulations. Four main adsorption sites for this structure have been identified: site I close to the copper atoms, site I′ in the bigger cavities, site II located in the small octahedral cages, and site III at the windows of the four open faces of the octahedral cage. Our simulations identify the octahedral cages (sites II and III) and the big cages (site I′) as the preferred positions for adsorption, while site I, near the copper atoms, remains empty over the entire range of pressures analyzed due to its reduced accessibility. The occupation of the different sites for ethane and propane in Cu-BTC proceeds similarly as for methane, and shows small differences for O2 and N2 that can be attributed to the quadrupole moment of these molecules. Site II is filled predominantly for methane (the nonpolar molecule), whereas for N2, the occupation of II and I′ can be considered almost equivalent. The molecular sitting for O2 shows an intermediate behavior between those observed for methane and for N2. The differences between simulated and experimental data at elevated temperatures for propane are tentatively attributed to a reversible change in the lattice parameters of Cu-BTC by dehydration and by temperature, blocking the accessibility to site III and reducing that to site I′. Adsorption parameters of the investigated molecules have been determined from the simulations." @default.
• W2023000128 created "2016-06-24" @default.
• W2023000128 creator A5035614879 @default.
• W2023000128 creator A5043300159 @default.
• W2023000128 creator A5058113997 @default.
• W2023000128 creator A5078354623 @default.
• W2023000128 creator A5081991250 @default.
• W2023000128 creator A5088345709 @default.
• W2023000128 date "2009-01-06" @default.
• W2023000128 modified "2023-09-30" @default.
• W2023000128 title "Identification of Adsorption Sites in Cu-BTC by Experimentation and Molecular Simulation" @default.
• W2023000128 cites W1964953510 @default.
• W2023000128 cites W1972498093 @default.
• W2023000128 cites W1978810455 @default.
• W2023000128 cites W1987736265 @default.
• W2023000128 cites W1988098197 @default.
• W2023000128 cites W1992158630 @default.
• W2023000128 cites W1995517450 @default.
• W2023000128 cites W1996239973 @default.
• W2023000128 cites W1999908724 @default.
• W2023000128 cites W1999937609 @default.
• W2023000128 cites W2001827902 @default.
• W2023000128 cites W2002928929 @default.
• W2023000128 cites W2006776390 @default.
• W2023000128 cites W2012669727 @default.
• W2023000128 cites W2014524952 @default.
• W2023000128 cites W2016160332 @default.
• W2023000128 cites W2016256289 @default.
• W2023000128 cites W2021487825 @default.
• W2023000128 cites W2022085591 @default.
• W2023000128 cites W2024714063 @default.
• W2023000128 cites W2026091349 @default.
• W2023000128 cites W2030971064 @default.
• W2023000128 cites W2046610016 @default.
• W2023000128 cites W2063012164 @default.
• W2023000128 cites W2063716026 @default.
• W2023000128 cites W2070540039 @default.
• W2023000128 cites W2075883340 @default.
• W2023000128 cites W2076106456 @default.
• W2023000128 cites W2078402834 @default.
• W2023000128 cites W2078444809 @default.
• W2023000128 cites W2083172037 @default.
• W2023000128 cites W2085822586 @default.
• W2023000128 cites W2091476518 @default.
• W2023000128 cites W2094392172 @default.
• W2023000128 cites W2095657779 @default.
• W2023000128 cites W2099669169 @default.
• W2023000128 cites W2104962402 @default.
• W2023000128 cites W2113451496 @default.
• W2023000128 cites W2122929299 @default.
• W2023000128 cites W2135506280 @default.
• W2023000128 cites W2142527360 @default.
• W2023000128 cites W2154989874 @default.
• W2023000128 cites W2157218296 @default.
• W2023000128 cites W2161209969 @default.
• W2023000128 cites W2169352786 @default.
• W2023000128 cites W2169435172 @default.
• W2023000128 cites W2171608545 @default.
• W2023000128 cites W4239958190 @default.
• W2023000128 doi "https://doi.org/10.1021/la803085h" @default.
• W2023000128 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19125560" @default.
• W2023000128 hasPublicationYear "2009" @default.
• W2023000128 type Work @default.
• W2023000128 sameAs 2023000128 @default.
• W2023000128 citedByCount "101" @default.
• W2023000128 countsByYear W20230001282012 @default.
• W2023000128 countsByYear W20230001282013 @default.
• W2023000128 countsByYear W20230001282014 @default.
• W2023000128 countsByYear W20230001282015 @default.
• W2023000128 countsByYear W20230001282016 @default.
• W2023000128 countsByYear W20230001282017 @default.
• W2023000128 countsByYear W20230001282018 @default.
• W2023000128 countsByYear W20230001282019 @default.
• W2023000128 countsByYear W20230001282020 @default.
• W2023000128 countsByYear W20230001282021 @default.
• W2023000128 countsByYear W20230001282022 @default.
• W2023000128 countsByYear W20230001282023 @default.
• W2023000128 crossrefType "journal-article" @default.
• W2023000128 hasAuthorship W2023000128A5035614879 @default.
• W2023000128 hasAuthorship W2023000128A5043300159 @default.
• W2023000128 hasAuthorship W2023000128A5058113997 @default.
• W2023000128 hasAuthorship W2023000128A5078354623 @default.
• W2023000128 hasAuthorship W2023000128A5081991250 @default.
• W2023000128 hasAuthorship W2023000128A5088345709 @default.
• W2023000128 hasConcept C115624301 @default.
• W2023000128 hasConcept C147789679 @default.
• W2023000128 hasConcept C150394285 @default.
• W2023000128 hasConcept C178790620 @default.
• W2023000128 hasConcept C185592680 @default.
• W2023000128 hasConcept C198819137 @default.
• W2023000128 hasConcept C2776345496 @default.
• W2023000128 hasConcept C32909587 @default.
• W2023000128 hasConcept C516920438 @default.
• W2023000128 hasConcept C544153396 @default.
• W2023000128 hasConcept C544778455 @default.
• W2023000128 hasConcept C8010536 @default.
• W2023000128 hasConcept C94239619 @default.
• W2023000128 hasConceptScore W2023000128C115624301 @default.

• next