Mean Field Fluid Behavior of the Gaussian Core Model
A. A. Louis, P. G. Bolhuis, J. P. Hansen
Abstract
We show that the Gaussian core model of particles interacting via a penetrable repulsive Gaussian potential, first considered by Stillinger (J. Chem. Phys. 65, 3968 (1976)), behaves like a weakly correlated ``mean field fluid'' over a surprisingly wide density and temperature range. In the bulk the structure of the fluid phase is accurately described by the random phase approximation for the direct correlation function, and by the more sophisticated HNC integral equation. The resulting pressure deviates very little from a simple, mean-field like, quadratic form in the density, while the low density virial expansion turns out to have an extremely small radius of convergence. Density profiles near a hard wall are also very accurately described by the corresponding mean-field free-energy functional. The binary version of the model exhibits a spinodal instability against de-mixing at high densities. Possible implications for semi-dilute polymer solutions are discussed.
Create a lesson
Related papers
First-fracture kinetics in periodic chains: from free-energy landscapes and dynamical recrossing to absolute rates
Aristotelis P. Sgouros
Self-phoresis on a one-dimensional periodic domain
Leah Anderson, David S. Dean
Impact of shear and dilational membrane viscosities on capsule shape and dynamics under shear flow: a theoretical study
Paul Regazzi, Marc Leonetti
Colloid-Colloid Interactions Impact Network Morphology of Confined Colloidal Drying Patterns
Andreas Andersen Hennig, Natalia Kizilova, Ilaria Beechey-Newman et al.
Solubility of poorly soluble species in bulk and nanopores from grand-canonical Wang-Landau sampling
Russell Kajouri, Adyant Agrawal, Philipp Stärk et al.
Activity-Induced Structural and Dynamical Heterogeneity in Colloidal Gels
Santu Nath, Sudipta Mandal, Smarajit Karmakar