Matches in SemOpenAlex for { <https://semopenalex.org/work/W1972396694> ?p ?o ?g. }
- W1972396694 endingPage "73" @default.
- W1972396694 startingPage "53" @default.
- W1972396694 abstract "The osmotic molecular dynamics method (OMD) is used to calculate activity coefficients for vapour–liquid equilibria (VLE) and liquid–liquid equilibria (LLE) predictions. The previously reported OMD methodology is refined and applied to mixtures of polar, structured molecular fluids. Other computer simulation approaches to phase equilibria prediction are discussed briefly, and comparison to recent Gibbs Ensemble Monte Carlo (GEMC) results is made. OMD-predicted activity coefficients are compared to experimentally-measured activity coefficients for six industrially-significant binary mixtures (methanol/n-hexane, n-hexane/n-pentane, chloroform/acetone, chloroform/methanol, methanol/water, chloroform/n-hexane). Molecular model inadequacies, especially cross-parameters between unlike molecules, are shown. A single cross-parameter for the acetone/chloroform binary is modified to produce good agreement with experimentally-measured activity coefficients. Also, OMD-derived LLE predictions are produced for the methanol/n-hexane system and compared with experimentally-measured LLE data." @default.
- W1972396694 created "2016-06-24" @default.
- W1972396694 creator A5040375551 @default.
- W1972396694 creator A5050481494 @default.
- W1972396694 date "2002-01-01" @default.
- W1972396694 modified "2023-09-23" @default.
- W1972396694 title "Activity coefficient prediction by osmotic molecular dynamics" @default.
- W1972396694 cites W1635688519 @default.
- W1972396694 cites W1672666614 @default.
- W1972396694 cites W1926708308 @default.
- W1972396694 cites W1964803504 @default.
- W1972396694 cites W1967867091 @default.
- W1972396694 cites W1968042570 @default.
- W1972396694 cites W1968192899 @default.
- W1972396694 cites W1977890084 @default.
- W1972396694 cites W1980316105 @default.
- W1972396694 cites W1990755123 @default.
- W1972396694 cites W1997536312 @default.
- W1972396694 cites W2001147010 @default.
- W1972396694 cites W2001859992 @default.
- W1972396694 cites W2006755239 @default.
- W1972396694 cites W2011797250 @default.
- W1972396694 cites W2018327545 @default.
- W1972396694 cites W2019133371 @default.
- W1972396694 cites W2019573280 @default.
- W1972396694 cites W2023124530 @default.
- W1972396694 cites W2027384625 @default.
- W1972396694 cites W2028715643 @default.
- W1972396694 cites W2030787892 @default.
- W1972396694 cites W2031107710 @default.
- W1972396694 cites W2033658921 @default.
- W1972396694 cites W2036622917 @default.
- W1972396694 cites W2038532190 @default.
- W1972396694 cites W2046745533 @default.
- W1972396694 cites W2049475242 @default.
- W1972396694 cites W2051039246 @default.
- W1972396694 cites W2051066917 @default.
- W1972396694 cites W2058777775 @default.
- W1972396694 cites W2059658144 @default.
- W1972396694 cites W2062041294 @default.
- W1972396694 cites W2080465793 @default.
- W1972396694 cites W2082405145 @default.
- W1972396694 cites W2085043560 @default.
- W1972396694 cites W2090119104 @default.
- W1972396694 cites W2090133054 @default.
- W1972396694 cites W2093484224 @default.
- W1972396694 cites W2094187779 @default.
- W1972396694 cites W2094326659 @default.
- W1972396694 cites W2095334433 @default.
- W1972396694 cites W2115078849 @default.
- W1972396694 cites W2122425162 @default.
- W1972396694 cites W2132105633 @default.
- W1972396694 cites W2140151763 @default.
- W1972396694 cites W2145509413 @default.
- W1972396694 cites W2160261626 @default.
- W1972396694 cites W2168659480 @default.
- W1972396694 cites W2766090880 @default.
- W1972396694 cites W3098444613 @default.
- W1972396694 cites W3104252924 @default.
- W1972396694 cites W4244828383 @default.
- W1972396694 cites W2406509912 @default.
- W1972396694 doi "https://doi.org/10.1016/s0378-3812(01)00734-8" @default.
- W1972396694 hasPublicationYear "2002" @default.
- W1972396694 type Work @default.
- W1972396694 sameAs 1972396694 @default.
- W1972396694 citedByCount "14" @default.
- W1972396694 countsByYear W19723966942013 @default.
- W1972396694 countsByYear W19723966942016 @default.
- W1972396694 countsByYear W19723966942017 @default.
- W1972396694 countsByYear W19723966942018 @default.
- W1972396694 countsByYear W19723966942019 @default.
- W1972396694 crossrefType "journal-article" @default.
- W1972396694 hasAuthorship W1972396694A5040375551 @default.
- W1972396694 hasAuthorship W1972396694A5050481494 @default.
- W1972396694 hasConcept C105795698 @default.
- W1972396694 hasConcept C121332964 @default.
- W1972396694 hasConcept C147597530 @default.
- W1972396694 hasConcept C147789679 @default.
- W1972396694 hasConcept C170961132 @default.
- W1972396694 hasConcept C178790620 @default.
- W1972396694 hasConcept C184651966 @default.
- W1972396694 hasConcept C185592680 @default.
- W1972396694 hasConcept C19499675 @default.
- W1972396694 hasConcept C2777077568 @default.
- W1972396694 hasConcept C2777589835 @default.
- W1972396694 hasConcept C2779607525 @default.
- W1972396694 hasConcept C2781144210 @default.
- W1972396694 hasConcept C2781213060 @default.
- W1972396694 hasConcept C33923547 @default.
- W1972396694 hasConcept C43617362 @default.
- W1972396694 hasConcept C59593255 @default.
- W1972396694 hasConcept C93218973 @default.
- W1972396694 hasConcept C97355855 @default.
- W1972396694 hasConceptScore W1972396694C105795698 @default.
- W1972396694 hasConceptScore W1972396694C121332964 @default.
- W1972396694 hasConceptScore W1972396694C147597530 @default.
- W1972396694 hasConceptScore W1972396694C147789679 @default.
- W1972396694 hasConceptScore W1972396694C170961132 @default.