Matches in SemOpenAlex for { <https://semopenalex.org/work/W4236898982> ?p ?o ?g. }
Showing items 1 to 87 of
87
with 100 items per page.
- W4236898982 abstract "An effective separation of propylene/propane mixtures is one of the most important processes in the petrochemical industry. Incidentally this separation is challenging due to the extensive similarities between both gases in terms of physicochemical properties such as, but not only limited to, boiling point, kinetic diameter and molecular weight. A drive to switch to less energy consuming processes, like adsorption or membrane separation, has highlighted several microporous metal organic frameworks as promising materials. In this work, we present a combined numerical and experimental investigation on propane and propylene adsorption in Zr-fumarate-MOF (also known as MOF-801), a small pore isoreticular analogue of UiO-66. Here, we demonstrate how the presence of structural defects can completely change the sorptive properties and separation performance of the Zr-fumarate-MOF, with enhanced capacity and gas diffusion rates for C3-sized hydrocarbons at the cost of kinetic selectivity. Extensive GCMC simulations performed on mixed defective supercells show that a percentage of missing cluster defects of around 1/8<sup>th</sup> can best account for the experimental results. Furthermore, analysis of low-frequency phonon spectra is used to explain gaseous diffusion in the original pristine material. A slight preference for propane over propylene is highlighted in the defective sample, and confirmed through column breakthrough experiments, suggesting the potential applicability of the Zr-fumarate-MOF in this challenging separation.<br>" @default.
- W4236898982 created "2022-05-12" @default.
- W4236898982 creator A5007730201 @default.
- W4236898982 creator A5028024581 @default.
- W4236898982 creator A5029686813 @default.
- W4236898982 creator A5039028911 @default.
- W4236898982 creator A5040021405 @default.
- W4236898982 creator A5054001237 @default.
- W4236898982 creator A5054543680 @default.
- W4236898982 creator A5079890502 @default.
- W4236898982 creator A5081003643 @default.
- W4236898982 creator A5082339301 @default.
- W4236898982 date "2019-08-27" @default.
- W4236898982 modified "2023-09-24" @default.
- W4236898982 title "Role of Structural Defects in the Adsorption and Separation of C3 Hydrocarbons in Zr-Fumarate-MOF (MOF-801)" @default.
- W4236898982 doi "https://doi.org/10.26434/chemrxiv.8181704" @default.
- W4236898982 hasPublicationYear "2019" @default.
- W4236898982 type Work @default.
- W4236898982 citedByCount "0" @default.
- W4236898982 crossrefType "posted-content" @default.
- W4236898982 hasAuthorship W4236898982A5007730201 @default.
- W4236898982 hasAuthorship W4236898982A5028024581 @default.
- W4236898982 hasAuthorship W4236898982A5029686813 @default.
- W4236898982 hasAuthorship W4236898982A5039028911 @default.
- W4236898982 hasAuthorship W4236898982A5040021405 @default.
- W4236898982 hasAuthorship W4236898982A5054001237 @default.
- W4236898982 hasAuthorship W4236898982A5054543680 @default.
- W4236898982 hasAuthorship W4236898982A5079890502 @default.
- W4236898982 hasAuthorship W4236898982A5081003643 @default.
- W4236898982 hasAuthorship W4236898982A5082339301 @default.
- W4236898982 hasBestOaLocation W42368989821 @default.
- W4236898982 hasConcept C118792377 @default.
- W4236898982 hasConcept C121332964 @default.
- W4236898982 hasConcept C127413603 @default.
- W4236898982 hasConcept C150394285 @default.
- W4236898982 hasConcept C161790260 @default.
- W4236898982 hasConcept C170573351 @default.
- W4236898982 hasConcept C178790620 @default.
- W4236898982 hasConcept C179366358 @default.
- W4236898982 hasConcept C18411161 @default.
- W4236898982 hasConcept C185592680 @default.
- W4236898982 hasConcept C188596812 @default.
- W4236898982 hasConcept C192562407 @default.
- W4236898982 hasConcept C2776345496 @default.
- W4236898982 hasConcept C41625074 @default.
- W4236898982 hasConcept C42360764 @default.
- W4236898982 hasConcept C55493867 @default.
- W4236898982 hasConcept C69357855 @default.
- W4236898982 hasConcept C86381522 @default.
- W4236898982 hasConcept C97355855 @default.
- W4236898982 hasConceptScore W4236898982C118792377 @default.
- W4236898982 hasConceptScore W4236898982C121332964 @default.
- W4236898982 hasConceptScore W4236898982C127413603 @default.
- W4236898982 hasConceptScore W4236898982C150394285 @default.
- W4236898982 hasConceptScore W4236898982C161790260 @default.
- W4236898982 hasConceptScore W4236898982C170573351 @default.
- W4236898982 hasConceptScore W4236898982C178790620 @default.
- W4236898982 hasConceptScore W4236898982C179366358 @default.
- W4236898982 hasConceptScore W4236898982C18411161 @default.
- W4236898982 hasConceptScore W4236898982C185592680 @default.
- W4236898982 hasConceptScore W4236898982C188596812 @default.
- W4236898982 hasConceptScore W4236898982C192562407 @default.
- W4236898982 hasConceptScore W4236898982C2776345496 @default.
- W4236898982 hasConceptScore W4236898982C41625074 @default.
- W4236898982 hasConceptScore W4236898982C42360764 @default.
- W4236898982 hasConceptScore W4236898982C55493867 @default.
- W4236898982 hasConceptScore W4236898982C69357855 @default.
- W4236898982 hasConceptScore W4236898982C86381522 @default.
- W4236898982 hasConceptScore W4236898982C97355855 @default.
- W4236898982 hasLocation W42368989821 @default.
- W4236898982 hasLocation W42368989822 @default.
- W4236898982 hasLocation W42368989823 @default.
- W4236898982 hasOpenAccess W4236898982 @default.
- W4236898982 hasPrimaryLocation W42368989821 @default.
- W4236898982 hasRelatedWork W1984238460 @default.
- W4236898982 hasRelatedWork W2015517429 @default.
- W4236898982 hasRelatedWork W2039072643 @default.
- W4236898982 hasRelatedWork W2749157016 @default.
- W4236898982 hasRelatedWork W3204607822 @default.
- W4236898982 hasRelatedWork W4236898982 @default.
- W4236898982 hasRelatedWork W4252437321 @default.
- W4236898982 hasRelatedWork W4309723992 @default.
- W4236898982 hasRelatedWork W4361001394 @default.
- W4236898982 hasRelatedWork W4361001792 @default.
- W4236898982 isParatext "false" @default.
- W4236898982 isRetracted "false" @default.
- W4236898982 workType "article" @default.