FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4223903999> ?p ?o ?g. }

• W4223903999 endingPage "107733" @default.
• W4223903999 startingPage "107733" @default.
• W4223903999 abstract "Ethylene is nearly the most crucial basic chemicals all over the word for polymer industry. In the process of ethylene preparation by traditional steam cracking, by-products such as acetylene and ethane are released unavoidably. How to effectively separate these three hydrocarbon gases, acetylene, ethylene, and ethane, has plagued the industrial process of ethylene production for a long time. This work explores the separation performance of acetylene, ethylene and ethane over single layered graphdiyne membranes from viewpoint of quantum chemistry. The diffusion energy barrier, selectivity and permeability of the three gases separated by graphdiyne membranes are investigated in details by using the density functional theory calculations. The results show that the selectivity of acetylene/ethylene, acetylene/ethane, and ethylene/ethane can reach 2 × 106，5 × 108 and 184 respectively at 300 K. The permeability of acetylene at 300 K is about 1.9 × 10−4 mol·m−2·s−1·Pa−1, which is about 5 orders of magnitude higher than the industry standard. The permeability for ethylene can reach the industry standard at about 400 K. Combined with energy decomposition analysis (EDA) and reduced density gradient (RDG) analysis, the interaction of the three gas in diffusion processes over graphdiyne membranes is explored, and the quantum mechanical explanation of the separation performance is given. According to EDA results, gas adsorption behavior is dominated by the dispersion effect. However, the repulsive effect and electrostatic effect increase in the gas diffusion approaching to the membrane, and the dispersion effect decreases. In addition, the interaction strength, area and type of gas molecules and graphdiyne membrane are visually depicted via RDG analysis." @default.
• W4223903999 created "2022-04-19" @default.
• W4223903999 creator A5003759585 @default.
• W4223903999 creator A5006340460 @default.
• W4223903999 creator A5012740790 @default.
• W4223903999 creator A5022641571 @default.
• W4223903999 creator A5041666851 @default.
• W4223903999 creator A5074134616 @default.
• W4223903999 creator A5088010841 @default.
• W4223903999 creator A5091161457 @default.
• W4223903999 date "2022-06-01" @default.
• W4223903999 modified "2023-10-06" @default.
• W4223903999 title "Separation of acetylene, ethylene and ethane over single layered graphdiyne membranes: Performance and insights from quantum mechanical views" @default.
• W4223903999 cites W1967883617 @default.
• W4223903999 cites W1971996946 @default.
• W4223903999 cites W1973570873 @default.
• W4223903999 cites W1981599999 @default.
• W4223903999 cites W1984574859 @default.
• W4223903999 cites W1989307712 @default.
• W4223903999 cites W1997066003 @default.
• W4223903999 cites W1999248080 @default.
• W4223903999 cites W2013694309 @default.
• W4223903999 cites W2023108183 @default.
• W4223903999 cites W2039538172 @default.
• W4223903999 cites W2039839635 @default.
• W4223903999 cites W2074097477 @default.
• W4223903999 cites W2091574947 @default.
• W4223903999 cites W2121035211 @default.
• W4223903999 cites W2526729508 @default.
• W4223903999 cites W2528719301 @default.
• W4223903999 cites W2597121506 @default.
• W4223903999 cites W2740662720 @default.
• W4223903999 cites W2742713202 @default.
• W4223903999 cites W2745025470 @default.
• W4223903999 cites W2756081118 @default.
• W4223903999 cites W2774554063 @default.
• W4223903999 cites W2883885113 @default.
• W4223903999 cites W2888657651 @default.
• W4223903999 cites W2895545842 @default.
• W4223903999 cites W2898973803 @default.
• W4223903999 cites W2901363113 @default.
• W4223903999 cites W2907047726 @default.
• W4223903999 cites W2910518142 @default.
• W4223903999 cites W2910750023 @default.
• W4223903999 cites W2917563620 @default.
• W4223903999 cites W2919087962 @default.
• W4223903999 cites W2931675030 @default.
• W4223903999 cites W2942879579 @default.
• W4223903999 cites W2963621990 @default.
• W4223903999 cites W2964345041 @default.
• W4223903999 cites W2966506190 @default.
• W4223903999 cites W2969573617 @default.
• W4223903999 cites W2979798227 @default.
• W4223903999 cites W3002072506 @default.
• W4223903999 cites W3005477756 @default.
• W4223903999 cites W3027254810 @default.
• W4223903999 cites W3034131396 @default.
• W4223903999 cites W3045349677 @default.
• W4223903999 cites W3046201181 @default.
• W4223903999 cites W3049303088 @default.
• W4223903999 cites W3109214469 @default.
• W4223903999 cites W3109680117 @default.
• W4223903999 cites W3120424056 @default.
• W4223903999 cites W3134651350 @default.
• W4223903999 cites W3158880326 @default.
• W4223903999 cites W3160417881 @default.
• W4223903999 cites W3161511774 @default.
• W4223903999 cites W3161799041 @default.
• W4223903999 cites W3216659933 @default.
• W4223903999 doi "https://doi.org/10.1016/j.jece.2022.107733" @default.
• W4223903999 hasPublicationYear "2022" @default.
• W4223903999 type Work @default.
• W4223903999 citedByCount "2" @default.
• W4223903999 countsByYear W42239039992022 @default.
• W4223903999 countsByYear W42239039992023 @default.
• W4223903999 crossrefType "journal-article" @default.
• W4223903999 hasAuthorship W4223903999A5003759585 @default.
• W4223903999 hasAuthorship W4223903999A5006340460 @default.
• W4223903999 hasAuthorship W4223903999A5012740790 @default.
• W4223903999 hasAuthorship W4223903999A5022641571 @default.
• W4223903999 hasAuthorship W4223903999A5041666851 @default.
• W4223903999 hasAuthorship W4223903999A5074134616 @default.
• W4223903999 hasAuthorship W4223903999A5088010841 @default.
• W4223903999 hasAuthorship W4223903999A5091161457 @default.
• W4223903999 hasConcept C118792377 @default.
• W4223903999 hasConcept C121332964 @default.
• W4223903999 hasConcept C127413603 @default.
• W4223903999 hasConcept C150394285 @default.
• W4223903999 hasConcept C161790260 @default.
• W4223903999 hasConcept C178790620 @default.
• W4223903999 hasConcept C18411161 @default.
• W4223903999 hasConcept C185592680 @default.
• W4223903999 hasConcept C192562407 @default.
• W4223903999 hasConcept C2777207669 @default.
• W4223903999 hasConcept C2777517455 @default.
• W4223903999 hasConcept C2778597550 @default.
• W4223903999 hasConcept C41625074 @default.
• W4223903999 hasConcept C42360764 @default.

• next