The compatibility of polylactic acid and polybutylene succinate blends by molecular and mesoscopic dynamics

• Main Authors: Cheng Lin, Liwu Liu, Yanju Liu, Jinsong Leng
• Format: Article
• Language: English
• Published: Taylor & Francis Group 2020-01-01
• Series: International Journal of Smart and Nano Materials
• Subjects: compatibility; molecular dynamics simulation; radial distribution function; pla; pbs
• Online Access: http://dx.doi.org/10.1080/19475411.2020.1729274

The compatibility of polylactic acid (PLA)/polybutylene succinate (PBS) blends was studied by molecular dynamics and mesoscopic dynamics, which is a controversial issue in experiments. Six simulation models of PLA/PBS with different composition ratios (100/0, 90/10, 80/20, 70/30, 60/40, 0/100) were constructed. The radial distribution function, hydrogen bond, free energy density, order parameter and iso-density surface morphology of the PLA/PBS systems were simulated and analyzed. Due to the formation of hydrogen bonds and van der Waals bonds between different elements of PLA chains and PBS chains, the PLA/PBS blends exhibit good compatibility at all composition ratios.