Matches in SemOpenAlex for { <https://semopenalex.org/work/W2006099724> ?p ?o ?g. }
Showing items 1 to 83 of
83
with 100 items per page.
- W2006099724 endingPage "184" @default.
- W2006099724 startingPage "173" @default.
- W2006099724 abstract "Partial specific enthalpies were computed directly from a nonequilibrium molecular dynamics (NEMD) simulation with a nonzero composition gradient and zero temperature- and pressure gradients. The results agree with data from thermodynamic differentiation of equilibrium data to within statistical uncertainties. We report here results on a binary Lennard-Jones/spline isotope mixture with component mass ratio m1m2 equal to 10 and at overall reduced temperature and density equal to 2 and 0.1, respectively (in Lennard-Jones units). This is a thermodynamically ideal mixture, and the partial specific quantities follow trivially from data for the pure components. The numerical NEMD method will, however, work equally well for non-ideal mixtures, and the isotope mixture was used as a test of the NEMD method. An isothermal and isobaric system with a composition gradient was established with a particle swapping algorithm. Assuming that local thermodynamic equilibrium is obtained, this gives a composition profile through the system that enables us to obtain partial specific (or molar) quantities essentially as the ratio between the gradient of the quantity of interest and the composition gradient. Under the assumption that the Onsager reciprocal relations are valid, the chemical potential gradients of the two components were determined and found to be in good agreement with the ideal mixture result." @default.
- W2006099724 created "2016-06-24" @default.
- W2006099724 creator A5046675981 @default.
- W2006099724 creator A5073673121 @default.
- W2006099724 date "1995-03-01" @default.
- W2006099724 modified "2023-10-16" @default.
- W2006099724 title "Partial specific quantities computed by nonequilibrium molecular dynamics" @default.
- W2006099724 cites W1596416914 @default.
- W2006099724 cites W1992037331 @default.
- W2006099724 cites W2001868160 @default.
- W2006099724 cites W2003550755 @default.
- W2006099724 cites W2035159101 @default.
- W2006099724 cites W2045542428 @default.
- W2006099724 cites W2047968838 @default.
- W2006099724 cites W2048701520 @default.
- W2006099724 cites W2049541192 @default.
- W2006099724 cites W2052541836 @default.
- W2006099724 cites W2079844636 @default.
- W2006099724 cites W2080356434 @default.
- W2006099724 cites W2081339765 @default.
- W2006099724 cites W2083512590 @default.
- W2006099724 doi "https://doi.org/10.1016/0378-3812(94)02647-j" @default.
- W2006099724 hasPublicationYear "1995" @default.
- W2006099724 type Work @default.
- W2006099724 sameAs 2006099724 @default.
- W2006099724 citedByCount "22" @default.
- W2006099724 countsByYear W20060997242014 @default.
- W2006099724 countsByYear W20060997242016 @default.
- W2006099724 countsByYear W20060997242017 @default.
- W2006099724 countsByYear W20060997242023 @default.
- W2006099724 crossrefType "journal-article" @default.
- W2006099724 hasAuthorship W2006099724A5046675981 @default.
- W2006099724 hasAuthorship W2006099724A5073673121 @default.
- W2006099724 hasConcept C121332964 @default.
- W2006099724 hasConcept C121864883 @default.
- W2006099724 hasConcept C133347239 @default.
- W2006099724 hasConcept C146211579 @default.
- W2006099724 hasConcept C147597530 @default.
- W2006099724 hasConcept C153081606 @default.
- W2006099724 hasConcept C168167062 @default.
- W2006099724 hasConcept C185592680 @default.
- W2006099724 hasConcept C18762648 @default.
- W2006099724 hasConcept C33923547 @default.
- W2006099724 hasConcept C48372109 @default.
- W2006099724 hasConcept C59593255 @default.
- W2006099724 hasConcept C74859849 @default.
- W2006099724 hasConcept C94375191 @default.
- W2006099724 hasConcept C97355855 @default.
- W2006099724 hasConceptScore W2006099724C121332964 @default.
- W2006099724 hasConceptScore W2006099724C121864883 @default.
- W2006099724 hasConceptScore W2006099724C133347239 @default.
- W2006099724 hasConceptScore W2006099724C146211579 @default.
- W2006099724 hasConceptScore W2006099724C147597530 @default.
- W2006099724 hasConceptScore W2006099724C153081606 @default.
- W2006099724 hasConceptScore W2006099724C168167062 @default.
- W2006099724 hasConceptScore W2006099724C185592680 @default.
- W2006099724 hasConceptScore W2006099724C18762648 @default.
- W2006099724 hasConceptScore W2006099724C33923547 @default.
- W2006099724 hasConceptScore W2006099724C48372109 @default.
- W2006099724 hasConceptScore W2006099724C59593255 @default.
- W2006099724 hasConceptScore W2006099724C74859849 @default.
- W2006099724 hasConceptScore W2006099724C94375191 @default.
- W2006099724 hasConceptScore W2006099724C97355855 @default.
- W2006099724 hasLocation W20060997241 @default.
- W2006099724 hasOpenAccess W2006099724 @default.
- W2006099724 hasPrimaryLocation W20060997241 @default.
- W2006099724 hasRelatedWork W1975493688 @default.
- W2006099724 hasRelatedWork W1986639981 @default.
- W2006099724 hasRelatedWork W2054103452 @default.
- W2006099724 hasRelatedWork W2054224532 @default.
- W2006099724 hasRelatedWork W2065912513 @default.
- W2006099724 hasRelatedWork W2160725890 @default.
- W2006099724 hasRelatedWork W2262725337 @default.
- W2006099724 hasRelatedWork W2951416388 @default.
- W2006099724 hasRelatedWork W1577326852 @default.
- W2006099724 hasRelatedWork W2154891387 @default.
- W2006099724 hasVolume "104" @default.
- W2006099724 isParatext "false" @default.
- W2006099724 isRetracted "false" @default.
- W2006099724 magId "2006099724" @default.
- W2006099724 workType "article" @default.