Matches in SemOpenAlex for { <https://semopenalex.org/work/W2055824975> ?p ?o ?g. }
Showing items 1 to 94 of
94
with 100 items per page.
- W2055824975 endingPage "905" @default.
- W2055824975 startingPage "899" @default.
- W2055824975 abstract "Molecular dynamics simulations for liquid methanol have been carried out in order to examine the hydrogen bond network pattern in the low-temperature regime. Those properties of methanol concerning hydrogen bond connectivity are compared with supercooled water. Methanol can be supercooled deep into the low-temperature region without any singular behavior, which is in sharp contrast to supercooled water. One-dimensional linear hydrogen-bonded chains with occasional branches are the predominant species from room temperature to 153 K. The number of hydrogen bonds per methanol molecule in the inherent structure remains constant over a wide range of temperature. Lowering the temperature simply reduces the number of branches, keeping the total number of hydrogen bonds constant. This is caused by a decrease of the methanol molecules hydrogen-bonded with one and three other molecules. It is found that the hydrogen bond strength does not vary with temperature. The potential energy of the inherent structure decreases with a temperature decrease, suggesting that methanol falls into a category of fragile liquid. The energy decrease is due mainly to an increase in density with declining temperature, which strengthens the Lennard-Jones interaction term. This feature is distinguished from water, where hydrogen bonds become gradually stronger with decreasing temperature in the normal supercooled state." @default.
- W2055824975 created "2016-06-24" @default.
- W2055824975 creator A5010397425 @default.
- W2055824975 creator A5031105442 @default.
- W2055824975 creator A5031493092 @default.
- W2055824975 date "1998-01-01" @default.
- W2055824975 modified "2023-10-17" @default.
- W2055824975 title "Structure and Potential Surface of Liquid Methanol in Low Temperature: Comparison of the Hydrogen Bond Network in Methanol with Water" @default.
- W2055824975 cites W109330918 @default.
- W2055824975 cites W1964336579 @default.
- W2055824975 cites W1964349459 @default.
- W2055824975 cites W1964852724 @default.
- W2055824975 cites W1967766315 @default.
- W2055824975 cites W1977719014 @default.
- W2055824975 cites W1989759720 @default.
- W2055824975 cites W1991667245 @default.
- W2055824975 cites W1997676547 @default.
- W2055824975 cites W2010499880 @default.
- W2055824975 cites W2017859076 @default.
- W2055824975 cites W2018530992 @default.
- W2055824975 cites W2018850637 @default.
- W2055824975 cites W2027766146 @default.
- W2055824975 cites W2037540578 @default.
- W2055824975 cites W2037932750 @default.
- W2055824975 cites W2041638382 @default.
- W2055824975 cites W2048421180 @default.
- W2055824975 cites W2058657879 @default.
- W2055824975 cites W2063187261 @default.
- W2055824975 cites W2092556109 @default.
- W2055824975 cites W2092805442 @default.
- W2055824975 cites W2095236273 @default.
- W2055824975 cites W2118824450 @default.
- W2055824975 cites W2146462263 @default.
- W2055824975 cites W2150359692 @default.
- W2055824975 cites W2950073162 @default.
- W2055824975 cites W2950135346 @default.
- W2055824975 doi "https://doi.org/10.1021/jp9729728" @default.
- W2055824975 hasPublicationYear "1998" @default.
- W2055824975 type Work @default.
- W2055824975 sameAs 2055824975 @default.
- W2055824975 citedByCount "25" @default.
- W2055824975 countsByYear W20558249752013 @default.
- W2055824975 countsByYear W20558249752023 @default.
- W2055824975 crossrefType "journal-article" @default.
- W2055824975 hasAuthorship W2055824975A5010397425 @default.
- W2055824975 hasAuthorship W2055824975A5031105442 @default.
- W2055824975 hasAuthorship W2055824975A5031493092 @default.
- W2055824975 hasConcept C112887158 @default.
- W2055824975 hasConcept C112964491 @default.
- W2055824975 hasConcept C121332964 @default.
- W2055824975 hasConcept C147597530 @default.
- W2055824975 hasConcept C159467904 @default.
- W2055824975 hasConcept C178790620 @default.
- W2055824975 hasConcept C185592680 @default.
- W2055824975 hasConcept C2779607525 @default.
- W2055824975 hasConcept C32909587 @default.
- W2055824975 hasConcept C39353612 @default.
- W2055824975 hasConcept C512968161 @default.
- W2055824975 hasConcept C59593255 @default.
- W2055824975 hasConcept C97355855 @default.
- W2055824975 hasConceptScore W2055824975C112887158 @default.
- W2055824975 hasConceptScore W2055824975C112964491 @default.
- W2055824975 hasConceptScore W2055824975C121332964 @default.
- W2055824975 hasConceptScore W2055824975C147597530 @default.
- W2055824975 hasConceptScore W2055824975C159467904 @default.
- W2055824975 hasConceptScore W2055824975C178790620 @default.
- W2055824975 hasConceptScore W2055824975C185592680 @default.
- W2055824975 hasConceptScore W2055824975C2779607525 @default.
- W2055824975 hasConceptScore W2055824975C32909587 @default.
- W2055824975 hasConceptScore W2055824975C39353612 @default.
- W2055824975 hasConceptScore W2055824975C512968161 @default.
- W2055824975 hasConceptScore W2055824975C59593255 @default.
- W2055824975 hasConceptScore W2055824975C97355855 @default.
- W2055824975 hasIssue "5" @default.
- W2055824975 hasLocation W20558249751 @default.
- W2055824975 hasOpenAccess W2055824975 @default.
- W2055824975 hasPrimaryLocation W20558249751 @default.
- W2055824975 hasRelatedWork W1985871682 @default.
- W2055824975 hasRelatedWork W1995184796 @default.
- W2055824975 hasRelatedWork W2047584694 @default.
- W2055824975 hasRelatedWork W2093581706 @default.
- W2055824975 hasRelatedWork W2356323090 @default.
- W2055824975 hasRelatedWork W2398600255 @default.
- W2055824975 hasRelatedWork W2463965720 @default.
- W2055824975 hasRelatedWork W2484533320 @default.
- W2055824975 hasRelatedWork W4311259703 @default.
- W2055824975 hasRelatedWork W4386000140 @default.
- W2055824975 hasVolume "102" @default.
- W2055824975 isParatext "false" @default.
- W2055824975 isRetracted "false" @default.
- W2055824975 magId "2055824975" @default.
- W2055824975 workType "article" @default.