Matches in SemOpenAlex for { <https://semopenalex.org/work/W2038884477> ?p ?o ?g. }
- W2038884477 endingPage "074103" @default.
- W2038884477 startingPage "074103" @default.
- W2038884477 abstract "A non-hard sphere (HS) perturbation scheme, recently advanced by the present author, is elaborated for several technical matters, which are key mathematical details for implementation of the non-HS perturbation scheme in a coupling parameter expansion (CPE) thermodynamic perturbation framework. NVT-Monte Carlo simulation is carried out for a generalized Lennard-Jones (LJ) 2n-n potential to obtain routine thermodynamic quantities such as excess internal energy, pressure, excess chemical potential, excess Helmholtz free energy, and excess constant volume heat capacity. Then, these new simulation data, and available simulation data in literatures about a hard core attractive Yukawa fluid and a Sutherland fluid, are used to test the non-HS CPE 3rd-order thermodynamic perturbation theory (TPT) and give a comparison between the non-HS CPE 3rd-order TPT and other theoretical approaches. It is indicated that the non-HS CPE 3rd-order TPT is superior to other traditional TPT such as van der Waals/HS (vdW/HS), perturbation theory 2 (PT2)/HS, and vdW/Yukawa (vdW/Y) theory or analytical equation of state such as mean spherical approximation (MSA)-equation of state and is at least comparable to several currently the most accurate Ornstein-Zernike integral equation theories. It is discovered that three technical issues, i.e., opening up new bridge function approximation for the reference potential, choosing proper reference potential, and/or using proper thermodynamic route for calculation of fex − ref, chiefly decide the quality of the non-HS CPE TPT. Considering that the non-HS perturbation scheme applies for a wide variety of model fluids, and its implementation in the CPE thermodynamic perturbation framework is amenable to high-order truncation, the non-HS CPE 3rd-order or higher order TPT will be more promising once the above-mentioned three technological advances are established." @default.
- W2038884477 created "2016-06-24" @default.
- W2038884477 creator A5079053274 @default.
- W2038884477 date "2011-08-21" @default.
- W2038884477 modified "2023-10-09" @default.
- W2038884477 title "Non-hard sphere thermodynamic perturbation theory" @default.
- W2038884477 cites W1593302941 @default.
- W2038884477 cites W1964192388 @default.
- W2038884477 cites W1964407907 @default.
- W2038884477 cites W1967970291 @default.
- W2038884477 cites W1971255156 @default.
- W2038884477 cites W1973849235 @default.
- W2038884477 cites W1979295555 @default.
- W2038884477 cites W1983152817 @default.
- W2038884477 cites W1990195304 @default.
- W2038884477 cites W1992618087 @default.
- W2038884477 cites W1995583872 @default.
- W2038884477 cites W1997863074 @default.
- W2038884477 cites W2000233005 @default.
- W2038884477 cites W2006755239 @default.
- W2038884477 cites W2007577232 @default.
- W2038884477 cites W2009741252 @default.
- W2038884477 cites W2019613718 @default.
- W2038884477 cites W2021795737 @default.
- W2038884477 cites W2022309251 @default.
- W2038884477 cites W2029645819 @default.
- W2038884477 cites W2031759075 @default.
- W2038884477 cites W2033701522 @default.
- W2038884477 cites W2043427503 @default.
- W2038884477 cites W2046271083 @default.
- W2038884477 cites W2053190976 @default.
- W2038884477 cites W2054911642 @default.
- W2038884477 cites W2055198527 @default.
- W2038884477 cites W2058592988 @default.
- W2038884477 cites W2061122258 @default.
- W2038884477 cites W2061338120 @default.
- W2038884477 cites W2066112096 @default.
- W2038884477 cites W2068210905 @default.
- W2038884477 cites W2075217085 @default.
- W2038884477 cites W2082083989 @default.
- W2038884477 cites W2090887227 @default.
- W2038884477 cites W2094785841 @default.
- W2038884477 cites W2098226957 @default.
- W2038884477 cites W2102750941 @default.
- W2038884477 cites W2128506518 @default.
- W2038884477 cites W2137613682 @default.
- W2038884477 cites W2142506040 @default.
- W2038884477 cites W2161223360 @default.
- W2038884477 cites W2166673194 @default.
- W2038884477 cites W2168725496 @default.
- W2038884477 cites W3099439586 @default.
- W2038884477 doi "https://doi.org/10.1063/1.3625919" @default.
- W2038884477 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21861552" @default.
- W2038884477 hasPublicationYear "2011" @default.
- W2038884477 type Work @default.
- W2038884477 sameAs 2038884477 @default.
- W2038884477 citedByCount "7" @default.
- W2038884477 countsByYear W20388844772012 @default.
- W2038884477 countsByYear W20388844772013 @default.
- W2038884477 countsByYear W20388844772014 @default.
- W2038884477 countsByYear W20388844772021 @default.
- W2038884477 crossrefType "journal-article" @default.
- W2038884477 hasAuthorship W2038884477A5079053274 @default.
- W2038884477 hasBestOaLocation W20388844771 @default.
- W2038884477 hasConcept C105795698 @default.
- W2038884477 hasConcept C121332964 @default.
- W2038884477 hasConcept C121864883 @default.
- W2038884477 hasConcept C126061179 @default.
- W2038884477 hasConcept C141780669 @default.
- W2038884477 hasConcept C151195881 @default.
- W2038884477 hasConcept C174256460 @default.
- W2038884477 hasConcept C177918212 @default.
- W2038884477 hasConcept C185592680 @default.
- W2038884477 hasConcept C19499675 @default.
- W2038884477 hasConcept C27592594 @default.
- W2038884477 hasConcept C32909587 @default.
- W2038884477 hasConcept C33923547 @default.
- W2038884477 hasConcept C59593255 @default.
- W2038884477 hasConcept C60205243 @default.
- W2038884477 hasConcept C62520636 @default.
- W2038884477 hasConcept C65494353 @default.
- W2038884477 hasConcept C97355855 @default.
- W2038884477 hasConceptScore W2038884477C105795698 @default.
- W2038884477 hasConceptScore W2038884477C121332964 @default.
- W2038884477 hasConceptScore W2038884477C121864883 @default.
- W2038884477 hasConceptScore W2038884477C126061179 @default.
- W2038884477 hasConceptScore W2038884477C141780669 @default.
- W2038884477 hasConceptScore W2038884477C151195881 @default.
- W2038884477 hasConceptScore W2038884477C174256460 @default.
- W2038884477 hasConceptScore W2038884477C177918212 @default.
- W2038884477 hasConceptScore W2038884477C185592680 @default.
- W2038884477 hasConceptScore W2038884477C19499675 @default.
- W2038884477 hasConceptScore W2038884477C27592594 @default.
- W2038884477 hasConceptScore W2038884477C32909587 @default.
- W2038884477 hasConceptScore W2038884477C33923547 @default.
- W2038884477 hasConceptScore W2038884477C59593255 @default.
- W2038884477 hasConceptScore W2038884477C60205243 @default.
- W2038884477 hasConceptScore W2038884477C62520636 @default.