Matches in SemOpenAlex for { <https://semopenalex.org/work/W2801609510> ?p ?o ?g. }
Showing items 1 to 65 of
65
with 100 items per page.
- W2801609510 abstract "In this study, molecular dynamics (MD) simulations have been performed to study rheological properties of liquid alkanes under a range of pressures up to several GPa and high shear rates. The liquid alkane considered in this study is 2,4- dicyclohexyl-2-methylpentane (DCMP), which is a highly viscous fluid. Two further molecular motifs, octadecane (Linear) and 1,6-dicyclohexyl-hexane (Dumb- bell) were chosen as comparison. The rheological properties of DCMP under high pressure were studied using molecular dynamics simulations. A wide range of pressure (1 atm ≤ P ≤ 10 000 atm) and shear (5.47 x 10 7 s-1 ≤ y ≤ 5.47 x 10 11 s-1) conditions have been considered. Simulation parameters have been carefully chosen from preliminary simulations. MD allows access to understanding not always available experimentally.The present simulation results confirm that the density of all three motifs increase as pressure increases. The results also show that the mean squared dis- placements of molecules decrease as pressure increases. At pressures higher than 3000 atm, the movement almost ceases for DCMP and Dumbbell implying a solid- like behaviour at very high pressures. The viscosity of DCMP is higher than that of Dumbbell, but comparable to Linear. As molecules tend to adopt compact shapes at high pressures, this affects their rheological properties accordingly. The viscosity of Dumbbell is found to be the lowest among the three. Viscosities in- crease with pressure for all three molecules with larger changes with DCMP and Linear. It is found that the pressure of the systems increase when the shear is applied. The viscosity of DCMP and Dumbbell increase as pressure increases. The viscosity of DCMP is found to be higher than that of Dumbbell, especially in the high pressure region. DCMP and Dumbbell show the shear thinning behaviour. The start of a plateau is observed for DCMP and the viscosity in the plateau is at the same order of magnitude as the zero shear viscosity estimated from the Stokes-Einstein relation for low pressure systems." @default.
- W2801609510 created "2018-05-17" @default.
- W2801609510 creator A5056846199 @default.
- W2801609510 date "2017-09-01" @default.
- W2801609510 modified "2023-09-27" @default.
- W2801609510 title "Molecular dynamics study of rheological properties of liquid alkanes under high pressure and shear" @default.
- W2801609510 hasPublicationYear "2017" @default.
- W2801609510 type Work @default.
- W2801609510 sameAs 2801609510 @default.
- W2801609510 citedByCount "0" @default.
- W2801609510 crossrefType "dissertation" @default.
- W2801609510 hasAuthorship W2801609510A5056846199 @default.
- W2801609510 hasConcept C121332964 @default.
- W2801609510 hasConcept C127172972 @default.
- W2801609510 hasConcept C147597530 @default.
- W2801609510 hasConcept C159985019 @default.
- W2801609510 hasConcept C185592680 @default.
- W2801609510 hasConcept C1862650 @default.
- W2801609510 hasConcept C192562407 @default.
- W2801609510 hasConcept C200990466 @default.
- W2801609510 hasConcept C2776546559 @default.
- W2801609510 hasConcept C59593255 @default.
- W2801609510 hasConcept C71924100 @default.
- W2801609510 hasConcept C96035792 @default.
- W2801609510 hasConcept C97355855 @default.
- W2801609510 hasConceptScore W2801609510C121332964 @default.
- W2801609510 hasConceptScore W2801609510C127172972 @default.
- W2801609510 hasConceptScore W2801609510C147597530 @default.
- W2801609510 hasConceptScore W2801609510C159985019 @default.
- W2801609510 hasConceptScore W2801609510C185592680 @default.
- W2801609510 hasConceptScore W2801609510C1862650 @default.
- W2801609510 hasConceptScore W2801609510C192562407 @default.
- W2801609510 hasConceptScore W2801609510C200990466 @default.
- W2801609510 hasConceptScore W2801609510C2776546559 @default.
- W2801609510 hasConceptScore W2801609510C59593255 @default.
- W2801609510 hasConceptScore W2801609510C71924100 @default.
- W2801609510 hasConceptScore W2801609510C96035792 @default.
- W2801609510 hasConceptScore W2801609510C97355855 @default.
- W2801609510 hasLocation W28016095101 @default.
- W2801609510 hasOpenAccess W2801609510 @default.
- W2801609510 hasPrimaryLocation W28016095101 @default.
- W2801609510 hasRelatedWork W1512901951 @default.
- W2801609510 hasRelatedWork W1982568856 @default.
- W2801609510 hasRelatedWork W2027659717 @default.
- W2801609510 hasRelatedWork W2033915587 @default.
- W2801609510 hasRelatedWork W2039869903 @default.
- W2801609510 hasRelatedWork W2056297410 @default.
- W2801609510 hasRelatedWork W2064095328 @default.
- W2801609510 hasRelatedWork W2092249423 @default.
- W2801609510 hasRelatedWork W2097970779 @default.
- W2801609510 hasRelatedWork W2101624722 @default.
- W2801609510 hasRelatedWork W2145482255 @default.
- W2801609510 hasRelatedWork W2150044739 @default.
- W2801609510 hasRelatedWork W2334158836 @default.
- W2801609510 hasRelatedWork W2339468710 @default.
- W2801609510 hasRelatedWork W2944886423 @default.
- W2801609510 hasRelatedWork W3095225795 @default.
- W2801609510 hasRelatedWork W3123529884 @default.
- W2801609510 hasRelatedWork W3177220079 @default.
- W2801609510 hasRelatedWork W59318311 @default.
- W2801609510 hasRelatedWork W2003234747 @default.
- W2801609510 isParatext "false" @default.
- W2801609510 isRetracted "false" @default.
- W2801609510 magId "2801609510" @default.
- W2801609510 workType "dissertation" @default.