FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2007671337> ?p ?o ?g. }

• W2007671337 endingPage "948" @default.
• W2007671337 startingPage "941" @default.
• W2007671337 abstract "Molecular dynamics simulations are used to study the self-diffusion of linear and branched alkanes in the zeolites Mordenite, ZSM-5, Ferrierite, and ZSM-22. A rigid zeolite model and a united atom model for the alkanes was used in these simulations. Even at maximum loading, no single-file diffusion behavior of the time dependency of the mean-square displacement was observed in the one-dimensional zeolites Mordenite and ZSM-22. This might be the result of the low activation barriers for the molecular motion in the channels, causing the molecules not to move in a “hopping-like” motion. Both the diffusion constant and activation energy strongly depend on zeolite loading. At high loadings, the motion is predominantly determined by the alkane−alkane collisions. The chainlength dependency of the diffusion constant and activation energy seems to indicate the occurrence of a resonant diffusion mechanism. These effects are stronger in the medium-pore zeolites, as the molecules are more constrained in these systems. Diffusion of i-butane and 2-methyl-pentane in Mordenite was found to be less than 1 order of magnitude slower than their linear counterparts, and diffusion barriers are only 4.7 and 6.3 kJ/mol, respectively. In ZSM-5 and ZSM-22, where the bulky iso-alkanes fit tightly into the pores, differences are as large as 3 orders of magnitude, and the activation energies are in the order of 30 kJ/mol." @default.
• W2007671337 created "2016-06-24" @default.
• W2007671337 creator A5023173764 @default.
• W2007671337 creator A5057450422 @default.
• W2007671337 creator A5082285845 @default.
• W2007671337 date "2000-01-19" @default.
• W2007671337 modified "2023-10-18" @default.
• W2007671337 title "Concentration and Chainlength Dependence of the Diffusivity of Alkanes in Zeolites Studied with MD Simulations" @default.
• W2007671337 cites W1983798005 @default.
• W2007671337 cites W1991794210 @default.
• W2007671337 cites W1993857426 @default.
• W2007671337 cites W1995213438 @default.
• W2007671337 cites W1998655222 @default.
• W2007671337 cites W1999573109 @default.
• W2007671337 cites W2001490906 @default.
• W2007671337 cites W2002035908 @default.
• W2007671337 cites W2005749193 @default.
• W2007671337 cites W2009976708 @default.
• W2007671337 cites W2011673676 @default.
• W2007671337 cites W2019162240 @default.
• W2007671337 cites W2021083584 @default.
• W2007671337 cites W2039833680 @default.
• W2007671337 cites W2048666880 @default.
• W2007671337 cites W2055189275 @default.
• W2007671337 cites W2057013880 @default.
• W2007671337 cites W2059962870 @default.
• W2007671337 cites W2065088767 @default.
• W2007671337 cites W2066896261 @default.
• W2007671337 cites W2068931907 @default.
• W2007671337 cites W2071698807 @default.
• W2007671337 cites W2078592735 @default.
• W2007671337 cites W2079760676 @default.
• W2007671337 cites W2088233358 @default.
• W2007671337 cites W2127618662 @default.
• W2007671337 cites W2161692814 @default.
• W2007671337 cites W2165412780 @default.
• W2007671337 cites W2166308488 @default.
• W2007671337 cites W426252740 @default.
• W2007671337 doi "https://doi.org/10.1021/jp9927698" @default.
• W2007671337 hasPublicationYear "2000" @default.
• W2007671337 type Work @default.
• W2007671337 sameAs 2007671337 @default.
• W2007671337 citedByCount "88" @default.
• W2007671337 countsByYear W20076713372012 @default.
• W2007671337 countsByYear W20076713372013 @default.
• W2007671337 countsByYear W20076713372014 @default.
• W2007671337 countsByYear W20076713372015 @default.
• W2007671337 countsByYear W20076713372017 @default.
• W2007671337 countsByYear W20076713372018 @default.
• W2007671337 countsByYear W20076713372020 @default.
• W2007671337 countsByYear W20076713372021 @default.
• W2007671337 countsByYear W20076713372022 @default.
• W2007671337 countsByYear W20076713372023 @default.
• W2007671337 crossrefType "journal-article" @default.
• W2007671337 hasAuthorship W2007671337A5023173764 @default.
• W2007671337 hasAuthorship W2007671337A5057450422 @default.
• W2007671337 hasAuthorship W2007671337A5082285845 @default.
• W2007671337 hasConcept C113196181 @default.
• W2007671337 hasConcept C121332964 @default.
• W2007671337 hasConcept C147597530 @default.
• W2007671337 hasConcept C147789679 @default.
• W2007671337 hasConcept C148898269 @default.
• W2007671337 hasConcept C159467904 @default.
• W2007671337 hasConcept C161790260 @default.
• W2007671337 hasConcept C178790620 @default.
• W2007671337 hasConcept C185592680 @default.
• W2007671337 hasConcept C187128312 @default.
• W2007671337 hasConcept C2777207669 @default.
• W2007671337 hasConcept C2777924179 @default.
• W2007671337 hasConcept C2778077586 @default.
• W2007671337 hasConcept C2778256978 @default.
• W2007671337 hasConcept C2781327020 @default.
• W2007671337 hasConcept C32909587 @default.
• W2007671337 hasConcept C37668627 @default.
• W2007671337 hasConcept C53403541 @default.
• W2007671337 hasConcept C59593255 @default.
• W2007671337 hasConcept C62520636 @default.
• W2007671337 hasConcept C69357855 @default.
• W2007671337 hasConcept C93391505 @default.
• W2007671337 hasConcept C95121573 @default.
• W2007671337 hasConcept C97355855 @default.
• W2007671337 hasConceptScore W2007671337C113196181 @default.
• W2007671337 hasConceptScore W2007671337C121332964 @default.
• W2007671337 hasConceptScore W2007671337C147597530 @default.
• W2007671337 hasConceptScore W2007671337C147789679 @default.
• W2007671337 hasConceptScore W2007671337C148898269 @default.
• W2007671337 hasConceptScore W2007671337C159467904 @default.
• W2007671337 hasConceptScore W2007671337C161790260 @default.
• W2007671337 hasConceptScore W2007671337C178790620 @default.
• W2007671337 hasConceptScore W2007671337C185592680 @default.
• W2007671337 hasConceptScore W2007671337C187128312 @default.
• W2007671337 hasConceptScore W2007671337C2777207669 @default.
• W2007671337 hasConceptScore W2007671337C2777924179 @default.
• W2007671337 hasConceptScore W2007671337C2778077586 @default.
• W2007671337 hasConceptScore W2007671337C2778256978 @default.
• W2007671337 hasConceptScore W2007671337C2781327020 @default.
• W2007671337 hasConceptScore W2007671337C32909587 @default.
• W2007671337 hasConceptScore W2007671337C37668627 @default.

• next