Simulation of Sub-molecular and Supra-molecular Fluids

1992 ◽  
pp. 111-129
Author(s):  
D. Frenkel
Keyword(s):  
Molecular Fluids

Critical Raman line shape behavior of fluid nitrogen

2004 ◽  
Vol 76 (1) ◽  
pp. 147-155 ◽  
Author(s):  
M. Musso ◽  
F. Matthai ◽  
D. Keutel ◽  
K.-L. Oehme
Keyword(s):  
Raman Line ◽  
Line Shape ◽  
Line Broadening ◽  
Vibrational Resonance ◽  
Critical Isochore ◽  
Molecular Fluids ◽  
Detection Techniques ◽  
Gas Phases ◽  
Line Shapes ◽  
Band Position

Isotropic Raman line shapes of simple molecular fluids exhibit critical line broadening near their respective liquid-gas critical points. In order to observe this phenomenon, it is essential that the band position of a given vibrational mode is density-dependent, and that vibrational depopulation processes negligibly contribute to line broadening. Special attention was given to the fact that the isotropic (i.e., nonrotationally broadened) line shape of liquid N2 is affected by resonant intermolecular vibrational interactions between identical oscillators. By means of the well-chosen isotopic mixture (14N2).975 - (14N15N).025, the temperature and density dependences of shift, width, and asymmetry of the resonantly coupled 14N2 and, depending on the S/N ratio available, of the resonantly uncoupled 14N15N were determined, with up to milli-Kelvin resolution, in the coexisting liquid and gas phases and along the critical isochore, using a highest-resolution double monochromator and modern charge-coupled device detection techniques. Clear evidence was found that vibrational resonance couplings are present in all dense phases studied.

Integral equation theory for molecular fluids: effect of quadrupolar interactions

2000 ◽  
Vol 278 (3-4) ◽  
pp. 447-468 ◽  
Author(s):  
Sushma Gupta ◽  
Jokhan Ram ◽  
Ram Chandra Singh
Keyword(s):  
Integral Equation ◽  
Integral Equation Theory ◽  
Molecular Fluids

Hydrodynamics and Collective Angular-Momentum Fluctuations in Molecular Fluids

1971 ◽  
Vol 3 (4) ◽  
pp. 1462-1472 ◽  
Author(s):  
Narinder K. Ailawadi ◽  
Bruce J. Berne ◽  
Dieter Forster
Keyword(s):  
Angular Momentum ◽  
Molecular Fluids

Machine learning of lubrication correction based on GPR for the coupled DPD-DEM simulation of colloidal suspensions

Soft Matter ◽  
2021 ◽  
Author(s):  
Yi Wang ◽  
Jie Ouyang ◽  
Xiaodong Wang
Keyword(s):  
Machine Learning ◽  
Colloidal Suspensions ◽  
Hydrodynamic Interactions ◽  
Dem Simulation ◽  
Molecular Fluids ◽  
Close Range

Hydrodynamic interactions have a major impact on the suspension properties, but they are absent in atomic and molecular fluids due to a lack of intervening medium at close range. To...

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