Abstract The homogeneous density of the liquid phase is experimentally investigated for methyl diethanolamine. Data are obtained along five isotherms in a temperature range between 300 K and 360 pressures up to 95 MPa. Two different apparatuses used measure speed sound temperatures 322 450 with maximum pressure These measurements literature data develop fundamental equation state model formulat...

in this article, the crystallization of polyethylene is investigated by the modified weighted density approximation. also, a direct correlation function of polyethylene based on the rism theory is used. the free energy of a polyethylene is calculated using the density functional theory. the crystallization and also the solid and liquid densities of polyethylene are calculated and compared with ...

The scheme of platelet/surface interaction and a kinetic model of platelet adhesion on a solid surface are suggested. The elaborated approach takes into account the platelet activation by the surface and accumulation of free activated cells in the bulk of the liquid phase. This effect has an especially important role in static experimental conditions. The suggested model explains three types of...

A molecular-orbital derived polarizable potential function is developed to model liquid and supercritical fluid hydrogen fluoride. The model is based on a novel application of a combined quantum-mechanical and molecular-mechanical ~QM/MM! approach, which treats molecular polarization by a semiempirical method. Two geometrical models are examined, differing in the intramolecular bond length for ...

The contamination impact and the migration of contaminant into surrounding environment due to presence a spilled oil pipeline will cause significant damage natural ecosystem. For this reason, developing rapid response strategy that might include accurate predictions trajectories from numerical simulation modeling is decisive. This paper uses three-dimensional model based on high-resolution shoc...