Predicting material trends using discrete Newtonian modeling techniques

The usefulness of Newtonian techniques in the basic understanding of formulation effects is demonstrated. It ranges from a basic atomistic study using molecular modeling to a scale-up involving discrete element method. Results showed that the basic wetting and adhesion affects may be predicted from an atomistic level, but only if the molecular components can be defined. In addition, macroscopic effects can be simulated but only through the understanding of the underlying physical forces, some of them can be calculated atomistically. All of these forces are direct contributions from the formulation. The significance for adhesive work is in the exact definition of the physical causes of formulation performance defects.