FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2938861335> ?p ?o ?g. }

• W2938861335 abstract "Molecular dynamics simulations are used to investigate microscopic structures and dynamics of methanol and methanol-water binary mixture films confined between hydrophobic infinite parallel graphite plate slits with widths, H, in the range of 7-20 Å at 300 K. The initial geometric densities of the liquids were chosen to be the same as bulk methanol at the same temperature. For the two narrowest slit widths, two smaller initial densities were also considered. For the nano-confined system with H = 7 Å and high pressure, a solid-like hexagonal arrangement of methanol molecules arranged perpendicular to the plates is observed which reflects the closest packing of the molecules and partially mirrors the structure of the underlying graphite structure. At lower pressures and for larger slit widths, in the contact layer, the methanol molecules prefer having the C-O bond oriented parallel to the walls. Layered structures of methanol parallel to the wall were observed, with contact layers and additional numbers of central layers depending on the particular slit width. For methanol-water mixtures, simulations of solutions with different composition were performed between infinite graphite slits with H = 10 and 20 Å at 300 K. For the nanoslit with H = 10 Å, in the solution mixtures, three layers of molecules form, but for all mole fractions of methanol, methanol molecules are excluded from the central fluid layer. In the nanopore with H = 20 Å, more than three fluid layers are formed and methanol concentrations are enhanced near the confining plates walls compared to the average solution stoichiometry. The self-diffusion coefficients of methanol and water molecules in the solution show strong dependence on the solution concentration. The solution mole fractions with minimal diffusivity are the same in confined and non-confined bulk methanol-water mixtures." @default.
• W2938861335 created "2019-04-25" @default.
• W2938861335 creator A5006771923 @default.
• W2938861335 creator A5035043183 @default.
• W2938861335 creator A5050238247 @default.
• W2938861335 creator A5050764574 @default.
• W2938861335 creator A5051401339 @default.
• W2938861335 creator A5056839484 @default.
• W2938861335 date "2019-04-11" @default.
• W2938861335 modified "2023-09-26" @default.
• W2938861335 title "Molecular dynamics simulations of nano-confined methanol and methanol-water mixtures between infinite graphite plates: Structure and dynamics" @default.
• W2938861335 cites W1527964677 @default.
• W2938861335 cites W1838819249 @default.
• W2938861335 cites W1965294450 @default.
• W2938861335 cites W1970704289 @default.
• W2938861335 cites W1973185680 @default.
• W2938861335 cites W1977991499 @default.
• W2938861335 cites W1978868316 @default.
• W2938861335 cites W1979930819 @default.
• W2938861335 cites W1980944918 @default.
• W2938861335 cites W1984271832 @default.
• W2938861335 cites W1987308828 @default.
• W2938861335 cites W1991794210 @default.
• W2938861335 cites W1993365398 @default.
• W2938861335 cites W1998784979 @default.
• W2938861335 cites W2003003096 @default.
• W2938861335 cites W2003949305 @default.
• W2938861335 cites W2004521061 @default.
• W2938861335 cites W2007038594 @default.
• W2938861335 cites W2009078745 @default.
• W2938861335 cites W2010232881 @default.
• W2938861335 cites W2014346873 @default.
• W2938861335 cites W2017196167 @default.
• W2938861335 cites W2020267914 @default.
• W2938861335 cites W2021195744 @default.
• W2938861335 cites W2028116574 @default.
• W2938861335 cites W2028693420 @default.
• W2938861335 cites W2029789117 @default.
• W2938861335 cites W2031202341 @default.
• W2938861335 cites W2031364806 @default.
• W2938861335 cites W2032151874 @default.
• W2938861335 cites W2032410295 @default.
• W2938861335 cites W2032994005 @default.
• W2938861335 cites W2037540578 @default.
• W2938861335 cites W2037932750 @default.
• W2938861335 cites W2038513799 @default.
• W2938861335 cites W2041566362 @default.
• W2938861335 cites W2046518772 @default.
• W2938861335 cites W2049475242 @default.
• W2938861335 cites W2049696358 @default.
• W2938861335 cites W2051381895 @default.
• W2938861335 cites W2053247217 @default.
• W2938861335 cites W2053363788 @default.
• W2938861335 cites W2056502384 @default.
• W2938861335 cites W2057963755 @default.
• W2938861335 cites W2058473676 @default.
• W2938861335 cites W2058657879 @default.
• W2938861335 cites W2060527115 @default.
• W2938861335 cites W2061175069 @default.
• W2938861335 cites W2063187261 @default.
• W2938861335 cites W2064006858 @default.
• W2938861335 cites W2066641227 @default.
• W2938861335 cites W2069895987 @default.
• W2938861335 cites W2070973401 @default.
• W2938861335 cites W2073936935 @default.
• W2938861335 cites W2076069946 @default.
• W2938861335 cites W2077885734 @default.
• W2938861335 cites W2078326254 @default.
• W2938861335 cites W2086842140 @default.
• W2938861335 cites W2086858576 @default.
• W2938861335 cites W2087363331 @default.
• W2938861335 cites W2100032560 @default.
• W2938861335 cites W2100437857 @default.
• W2938861335 cites W2117635495 @default.
• W2938861335 cites W2124324502 @default.
• W2938861335 cites W2126092850 @default.
• W2938861335 cites W2128688587 @default.
• W2938861335 cites W2129478124 @default.
• W2938861335 cites W2151986205 @default.
• W2938861335 cites W2155153626 @default.
• W2938861335 cites W2175406266 @default.
• W2938861335 cites W2465365338 @default.
• W2938861335 cites W2801654672 @default.
• W2938861335 cites W2890989850 @default.
• W2938861335 cites W2903521629 @default.
• W2938861335 cites W2911101117 @default.
• W2938861335 doi "https://doi.org/10.1063/1.5088030" @default.
• W2938861335 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30981262" @default.
• W2938861335 hasPublicationYear "2019" @default.
• W2938861335 type Work @default.
• W2938861335 sameAs 2938861335 @default.
• W2938861335 citedByCount "6" @default.
• W2938861335 countsByYear W29388613352019 @default.
• W2938861335 countsByYear W29388613352020 @default.
• W2938861335 countsByYear W29388613352022 @default.
• W2938861335 countsByYear W29388613352023 @default.
• W2938861335 crossrefType "journal-article" @default.
• W2938861335 hasAuthorship W2938861335A5006771923 @default.
• W2938861335 hasAuthorship W2938861335A5035043183 @default.
• W2938861335 hasAuthorship W2938861335A5050238247 @default.

• next