FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2032574148> ?p ?o ?g. }

• W2032574148 endingPage "13286" @default.
• W2032574148 startingPage "13278" @default.
• W2032574148 abstract "Explicit atom simulations of ethanol were performed by molecular dynamics using the OPLS-AA potential. The phase densities were determined self-consistently by comparing the distribution of Voronoi volumes from two-phase and single-phase simulations. This is the first demonstration of the use of Voronoi tessellation in two-phase molecular dynamics simulation of polyatomic fluids. This technique removes all arbitrary determination of the phase diagram by using single-phase simulations to self-consistently validate the probability distribution of Voronoi volumes of the liquid and vapor phases extracted from the two-phase molecular dynamics simulations. Properties from the two phase simulations include critical temperature, critical density, critical pressure, phase diagram, surface tension, and molecule orientation at the interface. The simulations were performed from 375 to 472 K. Also investigated were the vapor pressure and hydrogen bonding along the two phase envelope. The phase envelope agrees extremely well with literature values from GEMC at lower temperatures. The combined use of two-phase molecular dynamics simulation and Voronoi tessellation allows us to extend the phase diagram toward the critical point." @default.
• W2032574148 created "2016-06-24" @default.
• W2032574148 creator A5007610358 @default.
• W2032574148 creator A5033149276 @default.
• W2032574148 creator A5079657136 @default.
• W2032574148 date "2007-11-01" @default.
• W2032574148 modified "2023-09-27" @default.
• W2032574148 title "Vapor−Liquid Equilibrium of Ethanol by Molecular Dynamics Simulation and Voronoi Tessellation" @default.
• W2032574148 cites W1967005434 @default.
• W2032574148 cites W1979957541 @default.
• W2032574148 cites W1982001674 @default.
• W2032574148 cites W1987395781 @default.
• W2032574148 cites W1991244342 @default.
• W2032574148 cites W2004291098 @default.
• W2032574148 cites W2012907468 @default.
• W2032574148 cites W2014754847 @default.
• W2032574148 cites W2014877786 @default.
• W2032574148 cites W2015794896 @default.
• W2032574148 cites W2022308778 @default.
• W2032574148 cites W2022755414 @default.
• W2032574148 cites W2027719611 @default.
• W2032574148 cites W2032117829 @default.
• W2032574148 cites W2036354340 @default.
• W2032574148 cites W2041406271 @default.
• W2032574148 cites W2042714585 @default.
• W2032574148 cites W2047607838 @default.
• W2032574148 cites W2051381895 @default.
• W2032574148 cites W2056081735 @default.
• W2032574148 cites W2056341143 @default.
• W2032574148 cites W2069181636 @default.
• W2032574148 cites W2073813424 @default.
• W2032574148 cites W2077958064 @default.
• W2032574148 cites W2084423111 @default.
• W2032574148 cites W2088898664 @default.
• W2032574148 cites W2100248238 @default.
• W2032574148 cites W2120372728 @default.
• W2032574148 cites W2138305674 @default.
• W2032574148 cites W2150547770 @default.
• W2032574148 cites W2153546486 @default.
• W2032574148 cites W2154678556 @default.
• W2032574148 cites W2156579468 @default.
• W2032574148 cites W2319259686 @default.
• W2032574148 doi "https://doi.org/10.1021/jp075414u" @default.
• W2032574148 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17973521" @default.
• W2032574148 hasPublicationYear "2007" @default.
• W2032574148 type Work @default.
• W2032574148 sameAs 2032574148 @default.
• W2032574148 citedByCount "29" @default.
• W2032574148 countsByYear W20325741482012 @default.
• W2032574148 countsByYear W20325741482013 @default.
• W2032574148 countsByYear W20325741482014 @default.
• W2032574148 countsByYear W20325741482015 @default.
• W2032574148 countsByYear W20325741482016 @default.
• W2032574148 countsByYear W20325741482017 @default.
• W2032574148 countsByYear W20325741482019 @default.
• W2032574148 countsByYear W20325741482020 @default.
• W2032574148 countsByYear W20325741482021 @default.
• W2032574148 countsByYear W20325741482023 @default.
• W2032574148 crossrefType "journal-article" @default.
• W2032574148 hasAuthorship W2032574148A5007610358 @default.
• W2032574148 hasAuthorship W2032574148A5033149276 @default.
• W2032574148 hasAuthorship W2032574148A5079657136 @default.
• W2032574148 hasConcept C121332964 @default.
• W2032574148 hasConcept C121864883 @default.
• W2032574148 hasConcept C147597530 @default.
• W2032574148 hasConcept C159467904 @default.
• W2032574148 hasConcept C178790620 @default.
• W2032574148 hasConcept C185592680 @default.
• W2032574148 hasConcept C192562407 @default.
• W2032574148 hasConcept C196298200 @default.
• W2032574148 hasConcept C205672865 @default.
• W2032574148 hasConcept C24881265 @default.
• W2032574148 hasConcept C2524010 @default.
• W2032574148 hasConcept C33923547 @default.
• W2032574148 hasConcept C41008148 @default.
• W2032574148 hasConcept C43817857 @default.
• W2032574148 hasConcept C44280652 @default.
• W2032574148 hasConcept C554190296 @default.
• W2032574148 hasConcept C59593255 @default.
• W2032574148 hasConcept C65155139 @default.
• W2032574148 hasConcept C76155785 @default.
• W2032574148 hasConcept C85906118 @default.
• W2032574148 hasConcept C97355855 @default.
• W2032574148 hasConceptScore W2032574148C121332964 @default.
• W2032574148 hasConceptScore W2032574148C121864883 @default.
• W2032574148 hasConceptScore W2032574148C147597530 @default.
• W2032574148 hasConceptScore W2032574148C159467904 @default.
• W2032574148 hasConceptScore W2032574148C178790620 @default.
• W2032574148 hasConceptScore W2032574148C185592680 @default.
• W2032574148 hasConceptScore W2032574148C192562407 @default.
• W2032574148 hasConceptScore W2032574148C196298200 @default.
• W2032574148 hasConceptScore W2032574148C205672865 @default.
• W2032574148 hasConceptScore W2032574148C24881265 @default.
• W2032574148 hasConceptScore W2032574148C2524010 @default.
• W2032574148 hasConceptScore W2032574148C33923547 @default.
• W2032574148 hasConceptScore W2032574148C41008148 @default.
• W2032574148 hasConceptScore W2032574148C43817857 @default.
• W2032574148 hasConceptScore W2032574148C44280652 @default.

• next