Lithium-ion batteries (LIBs) are one class of the most significant energy storage devices
used nowadays. However, a huge number of spent batteries bring harmful resource waste …

A simulated annealing method was used to study the minimum energy configurations of C
60 molecules inside carbon nanotubes. Simulations for over 50 nanotubes with radii from …

Abstract We use Monte Carlo simulations to investigate properties of systems of C 60
molecules inside (10, 10) and (15, 15) nanotubes. In the case of the (10, 10) nanotube, C 60 …

A simple coarse-grained water-C 60 model potential is proposed to study the solvation
behavior of C 60 in water. Extensive molecular dynamics simulations are performed to …

We report on an extensive molecular dynamics investigation of two models of C 60. The first
model is based on an effective pair, central potential obtained by integrating the interaction …

Dynamics of water in the solvation shells of a fullerene molecule as obtained from a coarse-
grained (CG) model for the C60− water interaction has been presented and compared with …

It has become clear that the self-consistent Ornstein–Zernike approximation (SCOZA) is a
microscopic liquid-state theory that is able to predict the location of the critical point and of …

In recent years, short-range pair potentials have been diffusely used in order to describe
complex fluids as, for instance, globular protein solutions or colloidal suspensions1–4 and …

The free energy of the solid and fluid phases of the Girifalco C 60 model are determined
through extensive Monte Carlo simulations. In this model the molecules interact through a …

We briefly review the application of integral equation theories (IETs) of the fluid state in order
to predict fluid phase equilibria of simple fluids. In spite of the relatively simple picture …