Matches in SemOpenAlex for { <https://semopenalex.org/work/W1967734672> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W1967734672 endingPage "55" @default.
- W1967734672 startingPage "41" @default.
- W1967734672 abstract "Van Leeuwen M.E., Peters C.J., de Swaan Arons J. and Panagiotopoulos A.Z., 1991. Evaluation of a statistical-mechanical virial equation of state, using Gibbs-ensemble molecular simulation. Fluid Phase Equilibria, 66: 41-55. A statistical-mechanical virial equation of state based on the Lennard-Jones (12, 6) pair potential is evaluated with respect to the phase behaviour of the binary systems N2-CH4, Ar-CH4, N2-Ar and CO2-C3H8, by means of Gibbs-ensemble molecular simulations. The pure-component pair-potential parameters ϵ and σ in the Lorentz-Berthelot rules for these systems, as well as the binary interaction parameters kij and lij for the binary system CO2-C3H8, have been obtained via optimization using the statistical-mechanical virial equation of state as theoretical model. Good agreement is observed between Gibbs-ensemble molecular simulations and equation-of-state calculations of the phase behaviour when the unlike-pair potential parameters are obtained from simple combining rules (geometric and arithmetic mean). This is not the case for a system for which binary interaction parameters have to be applied in the simple combining rules. The computer simulation results show that the optimized pure-component pair-potential parameters are physically meaningful; whereas for the system described with binary interaction parameters, these parameters yield unlike-pair potential parameters that do not seem physically sound." @default.
- W1967734672 created "2016-06-24" @default.
- W1967734672 creator A5021542688 @default.
- W1967734672 creator A5028110272 @default.
- W1967734672 creator A5043834840 @default.
- W1967734672 creator A5053607565 @default.
- W1967734672 date "1991-09-01" @default.
- W1967734672 modified "2023-09-26" @default.
- W1967734672 title "Evaluation of a statistical-mechanical virial equation of state, using Gibbs-ensemble molecular simulations" @default.
- W1967734672 cites W1992487350 @default.
- W1967734672 cites W1995813096 @default.
- W1967734672 cites W2009674901 @default.
- W1967734672 cites W2023341356 @default.
- W1967734672 cites W2032706346 @default.
- W1967734672 cites W2033812538 @default.
- W1967734672 cites W2039073306 @default.
- W1967734672 cites W2043695048 @default.
- W1967734672 cites W2062449772 @default.
- W1967734672 cites W2079094630 @default.
- W1967734672 cites W2145347951 @default.
- W1967734672 cites W2170198945 @default.
- W1967734672 cites W2170803861 @default.
- W1967734672 cites W4240831670 @default.
- W1967734672 cites W4244584041 @default.
- W1967734672 doi "https://doi.org/10.1016/0378-3812(91)85046-w" @default.
- W1967734672 hasPublicationYear "1991" @default.
- W1967734672 type Work @default.
- W1967734672 sameAs 1967734672 @default.
- W1967734672 citedByCount "9" @default.
- W1967734672 countsByYear W19677346722012 @default.
- W1967734672 crossrefType "journal-article" @default.
- W1967734672 hasAuthorship W1967734672A5021542688 @default.
- W1967734672 hasAuthorship W1967734672A5028110272 @default.
- W1967734672 hasAuthorship W1967734672A5043834840 @default.
- W1967734672 hasAuthorship W1967734672A5053607565 @default.
- W1967734672 hasConcept C105795698 @default.
- W1967734672 hasConcept C121332964 @default.
- W1967734672 hasConcept C121864883 @default.
- W1967734672 hasConcept C142508316 @default.
- W1967734672 hasConcept C147597530 @default.
- W1967734672 hasConcept C168167062 @default.
- W1967734672 hasConcept C182283691 @default.
- W1967734672 hasConcept C185592680 @default.
- W1967734672 hasConcept C189549420 @default.
- W1967734672 hasConcept C19499675 @default.
- W1967734672 hasConcept C2777692963 @default.
- W1967734672 hasConcept C2779764965 @default.
- W1967734672 hasConcept C28556851 @default.
- W1967734672 hasConcept C33923547 @default.
- W1967734672 hasConcept C48372109 @default.
- W1967734672 hasConcept C53810900 @default.
- W1967734672 hasConcept C59593255 @default.
- W1967734672 hasConcept C62520636 @default.
- W1967734672 hasConcept C93218973 @default.
- W1967734672 hasConcept C94375191 @default.
- W1967734672 hasConcept C97355855 @default.
- W1967734672 hasConcept C98444146 @default.
- W1967734672 hasConceptScore W1967734672C105795698 @default.
- W1967734672 hasConceptScore W1967734672C121332964 @default.
- W1967734672 hasConceptScore W1967734672C121864883 @default.
- W1967734672 hasConceptScore W1967734672C142508316 @default.
- W1967734672 hasConceptScore W1967734672C147597530 @default.
- W1967734672 hasConceptScore W1967734672C168167062 @default.
- W1967734672 hasConceptScore W1967734672C182283691 @default.
- W1967734672 hasConceptScore W1967734672C185592680 @default.
- W1967734672 hasConceptScore W1967734672C189549420 @default.
- W1967734672 hasConceptScore W1967734672C19499675 @default.
- W1967734672 hasConceptScore W1967734672C2777692963 @default.
- W1967734672 hasConceptScore W1967734672C2779764965 @default.
- W1967734672 hasConceptScore W1967734672C28556851 @default.
- W1967734672 hasConceptScore W1967734672C33923547 @default.
- W1967734672 hasConceptScore W1967734672C48372109 @default.
- W1967734672 hasConceptScore W1967734672C53810900 @default.
- W1967734672 hasConceptScore W1967734672C59593255 @default.
- W1967734672 hasConceptScore W1967734672C62520636 @default.
- W1967734672 hasConceptScore W1967734672C93218973 @default.
- W1967734672 hasConceptScore W1967734672C94375191 @default.
- W1967734672 hasConceptScore W1967734672C97355855 @default.
- W1967734672 hasConceptScore W1967734672C98444146 @default.
- W1967734672 hasIssue "1-2" @default.
- W1967734672 hasLocation W19677346721 @default.
- W1967734672 hasOpenAccess W1967734672 @default.
- W1967734672 hasPrimaryLocation W19677346721 @default.
- W1967734672 hasRelatedWork W1468384436 @default.
- W1967734672 hasRelatedWork W1880261888 @default.
- W1967734672 hasRelatedWork W1967734672 @default.
- W1967734672 hasRelatedWork W1985342253 @default.
- W1967734672 hasRelatedWork W1992788436 @default.
- W1967734672 hasRelatedWork W2022713822 @default.
- W1967734672 hasRelatedWork W2051376654 @default.
- W1967734672 hasRelatedWork W2070821228 @default.
- W1967734672 hasRelatedWork W2129900528 @default.
- W1967734672 hasRelatedWork W3173403659 @default.
- W1967734672 hasVolume "66" @default.
- W1967734672 isParatext "false" @default.
- W1967734672 isRetracted "false" @default.
- W1967734672 magId "1967734672" @default.
- W1967734672 workType "article" @default.