Bulk supercooled water versus adsorbed films on silica surfaces: specific heat by Monte Carlo simulation

Monte Carlo Simulation of Binary Mixtures Adsorbed on Heterogeneous Surfaces

Most of the solids used in adsorption processes are heterogeneous and most isotherm models are not derived to use information about the solid structure and energy heterogeneity. A possible alternative is to use molecular simulation techniques, which turn the thermodynamic model more microscopic. Then, starting from information on the solid structure, it is possible to develop appropriate solid ...

Modeling Replenishment of Ultrathin Liquid Perfluoropolyether Z Films on Solid Surfaces Using Monte Carlo Simulation

Monte Carlo Simulation of Protein Adsorption on Energetically Heterogeneous Surfaces

The modified triangular-well potential model was applied to incorporate the effect of surface energy on the adsorption of particles or proteins on energetically heterogeneous surfaces. The method is convenient in simulating the adsorption on heterogeneous surface of which different region possesses different free energy. Spherical particles with attractive forces were added on the surface and u...

Monte Carlo Radiative Heat Transfer Simulation on a Reconfigurable Computer

Recently, the appearance of very large (3 – 10M gate) FPGAs with embedded arithmetic units has opened the door to the possibility of floating point computation on these devices. While previous researchers have described peak performance or kernel matrix operations, there is as yet relatively little experience with mapping an application-specific floating point loop onto FPGAs. In this work, we ...

Polymer Films in the Normal-Liquid and Supercooled State: A Review of Recent Monte Carlo Simulation Results

The present paper reviews recent attempts to study the development of glassy behavior in thin polymer films by means of Monte Carlo simulations. The simulations employ a version of the bond-fluctuation lattice model, in which the glass transition is driven by the competition between an increase of the local volume requirement of a bond, caused by a stiffening of the polymer backbone, and the de...