Dynamic Molecular Simulation of Polyethylene/Organoclay Nanocomposites for Their Physical Properties and Foam Morphology

Abstract

Polyethylene materials are of great interest to be used in many applications due to their many advantageous characteristics. It is light, highly chemical resistant, easy to process, low in cost and has good mechanical properties. Polyethylene is widely used as a cable-insulating material. However, research is still needed to further improve its insulation quality and properties. In this study, an experimental and alternative approach through a dynamic modeling method was conducted. The main objective was to investigate the effect of modified organoclay concentration on the properties of polyethylene/organoclay nanocomposites by observing their characterization and optical and mechanical properties. The thermogram curve reveals that 2 wt% organoclay used has the highest crystallinity (46.7%) while the highest amount of organoclay used produced the lowest crystallinity (31.2%). The presence of cracks was also observed mostly in the nanocomposite with higher content of organoclay, usually where 2.0 wt% and above of organoclay was used. Morphological observation from simulation results supports the experimental work. Only small pores were observed to form in lower concentrations, and as the concentration was increased to 2.0 wt% and above, the pores present became larger in size. Increasing the concentration of organoclay up to 2.0 wt% reduced the interfacial tension while increasing the concentration above 2.0 wt% did not bring any changes to the interfacial tension value. Different formulations produced different behavior of nanocomposite. Hence the control of the formulation was important to control the final result of the products for appropriate application in different sectors of industry.

Keywords

• clay
• dielectric constant
• interfacial tension
• molecular modelling
• polyethylene