Application of the 2PT model to understanding entropy change in molecular coarse-graining

Authors :: Marco Dallavalle
Nico F. A. van der Vegt
Marvin P. Bernhardt
Source :: Soft Materials. 18:274-289
Publication Year :: 2020
Publisher :: Informa UK Limited, 2020.
Abstract: The effects of coarse-graining on the thermodynamic properties of molecular liquids are studied by computing the standard molar entropies of chloroform, 1,4-dioxane and neopentane using the two-pha...

Subjects :: Physics
chemistry.chemical_compound
Molecular dynamics
Entropy (classical thermodynamics)
Neopentane
chemistry
Density of states
Thermodynamics
General Materials Science
General Chemistry
Granularity
Condensed Matter Physics

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