Matches in SemOpenAlex for { <https://semopenalex.org/work/W2955458462> ?p ?o ?g. }
- W2955458462 endingPage "12867" @default.
- W2955458462 startingPage "12854" @default.
- W2955458462 abstract "Molecular dynamics simulation was applied to study ethanol–water mixtures with different component contents that were confined between graphene surfaces. The effect of mixture component content and pore width on structural and dynamic properties and percolation of confined fluids were investigated and compared with the corresponding properties in bulk. All dynamic properties of water molecules significantly reduced because their movement is limited to a space in the middle of the box. Water molecules percolated in all mixtures and formed larger clusters compared to ethanol molecules. Also, percolation in confined systems happened with more probability compared to bulk systems. The segregation was found in a way that a layered structure with adsorbed ethanol molecules, with hydrophobe alkyl group, on graphene surface was formed specially in smaller pore width and dilute ethanol content mixtures. Diffusion coefficients of water and ethanol molecules in mixture are approximately comparable, so their different movement capability was balanced with interaction between water and ethanol. The ethanol–water hydrogen bond strength is more than the ethanol–ethanol hydrogen bond strength in bulk mixtures while it is less than its counterpart in the confined system, which is in agreement with segregation tendency in confined systems." @default.
- W2955458462 created "2019-07-12" @default.
- W2955458462 creator A5007395936 @default.
- W2955458462 creator A5077755902 @default.
- W2955458462 date "2019-06-25" @default.
- W2955458462 modified "2023-09-23" @default.
- W2955458462 title "Molecular Dynamics Simulation of Nanoconfined Ethanol–Water Mixtures" @default.
- W2955458462 cites W1976364636 @default.
- W2955458462 cites W1976833925 @default.
- W2955458462 cites W1976843013 @default.
- W2955458462 cites W1977833987 @default.
- W2955458462 cites W1978896046 @default.
- W2955458462 cites W1981042663 @default.
- W2955458462 cites W1984903816 @default.
- W2955458462 cites W1987768718 @default.
- W2955458462 cites W1989163589 @default.
- W2955458462 cites W1993765819 @default.
- W2955458462 cites W1994728700 @default.
- W2955458462 cites W1997671108 @default.
- W2955458462 cites W2000009785 @default.
- W2955458462 cites W2000894690 @default.
- W2955458462 cites W2003003096 @default.
- W2955458462 cites W2010587930 @default.
- W2955458462 cites W2013453108 @default.
- W2955458462 cites W2021195744 @default.
- W2955458462 cites W2022731012 @default.
- W2955458462 cites W2023311157 @default.
- W2955458462 cites W2033558148 @default.
- W2955458462 cites W2038085410 @default.
- W2955458462 cites W2042136281 @default.
- W2955458462 cites W2046299723 @default.
- W2955458462 cites W2049475242 @default.
- W2955458462 cites W2052631919 @default.
- W2955458462 cites W2052878232 @default.
- W2955458462 cites W2055884216 @default.
- W2955458462 cites W2056362772 @default.
- W2955458462 cites W2057431120 @default.
- W2955458462 cites W2059288041 @default.
- W2955458462 cites W2064704040 @default.
- W2955458462 cites W2078606517 @default.
- W2955458462 cites W2079695602 @default.
- W2955458462 cites W2085340093 @default.
- W2955458462 cites W2086295275 @default.
- W2955458462 cites W2087817950 @default.
- W2955458462 cites W2092121499 @default.
- W2955458462 cites W2093122332 @default.
- W2955458462 cites W2095363658 @default.
- W2955458462 cites W2106140689 @default.
- W2955458462 cites W2115757177 @default.
- W2955458462 cites W2126525733 @default.
- W2955458462 cites W2138173375 @default.
- W2955458462 cites W2153236895 @default.
- W2955458462 cites W2165172960 @default.
- W2955458462 cites W2168325148 @default.
- W2955458462 cites W2318197600 @default.
- W2955458462 cites W2323283275 @default.
- W2955458462 cites W2397455380 @default.
- W2955458462 cites W2499293602 @default.
- W2955458462 cites W2507195079 @default.
- W2955458462 cites W2521457564 @default.
- W2955458462 cites W2530204517 @default.
- W2955458462 cites W2804870157 @default.
- W2955458462 cites W2911101117 @default.
- W2955458462 cites W2938861335 @default.
- W2955458462 doi "https://doi.org/10.1021/acs.iecr.9b02539" @default.
- W2955458462 hasPublicationYear "2019" @default.
- W2955458462 type Work @default.
- W2955458462 sameAs 2955458462 @default.
- W2955458462 citedByCount "2" @default.
- W2955458462 countsByYear W29554584622021 @default.
- W2955458462 countsByYear W29554584622022 @default.
- W2955458462 crossrefType "journal-article" @default.
- W2955458462 hasAuthorship W2955458462A5007395936 @default.
- W2955458462 hasAuthorship W2955458462A5077755902 @default.
- W2955458462 hasConcept C112887158 @default.
- W2955458462 hasConcept C120001659 @default.
- W2955458462 hasConcept C121332964 @default.
- W2955458462 hasConcept C127413603 @default.
- W2955458462 hasConcept C147597530 @default.
- W2955458462 hasConcept C150394285 @default.
- W2955458462 hasConcept C159467904 @default.
- W2955458462 hasConcept C169760540 @default.
- W2955458462 hasConcept C178790620 @default.
- W2955458462 hasConcept C185592680 @default.
- W2955458462 hasConcept C192562407 @default.
- W2955458462 hasConcept C2780161600 @default.
- W2955458462 hasConcept C2780457167 @default.
- W2955458462 hasConcept C32909587 @default.
- W2955458462 hasConcept C42360764 @default.
- W2955458462 hasConcept C55493867 @default.
- W2955458462 hasConcept C59593255 @default.
- W2955458462 hasConcept C69357855 @default.
- W2955458462 hasConcept C86803240 @default.
- W2955458462 hasConcept C97355855 @default.
- W2955458462 hasConceptScore W2955458462C112887158 @default.
- W2955458462 hasConceptScore W2955458462C120001659 @default.
- W2955458462 hasConceptScore W2955458462C121332964 @default.
- W2955458462 hasConceptScore W2955458462C127413603 @default.