Compatible and mechanical properties of hyperbranched polyurethane and linear polyurethane blend by molecular simulation

The compatible and mechanical properties of hyperbranched polyurethane(HBPU) and linear polyurethane blend were simulated by employing the softwear of Materials Studio(MS)4.3 to swift investigate composite's properties and as well as to understand the blending rule of polyurethane. After constructing the mold, blends and amorphous cell codes were used to calculate the compatible parameter and mechanical properties, respectively. Simulation results show that the groups locating at HBPU's outer end of transformed HBPU is the main factor to control blend's compatible and mechanical properties for little generation HBPU. The HBPU's generation is the main factor to control blend's two properties for larger generation number HBPU. Larger generation HBPU is easier to blend with long chain polyurethane.