Mechanism of Heterogeneous Bubble Nucleation in Polymer Blend Foaming.

A three-dimensional heterogeneous bubble nucleation model is constructed to provide a reasonable explanation at the molecular level for the foaming mechanism of polypropylene (PP) and polystyrene (PS) blends. CO2 solubilities and supersaturation rations are quantitatively calculated to help interpret the contribution of each phase of the blend in the CO2 dissolution stage. The spatial density profiles of polymer/CO2 binary melt around different polymer chains are presented to give an intuitive perspective to the thermodynamic driving force. The predicted interfacial tension and contact angles of critical bubbles provide valid evidence to distinguish the wettability of CO2 in different regions. The values of predicted free-energy barriers, critical radii, and nucleation number densities imply that bubbles that nucleate in the PP and PS blend interfacial region attached to the PS-rich phase achieve the smallest size and largest number density. The reliability of the theoretical model has been tested by partial available experimental data.