The compatibility of polylactic acid and polybutylene succinate blends by molecular and mesoscopic dynamics
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...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
Taylor & Francis Group
2020-01-01
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Series: | International Journal of Smart and Nano Materials |
Subjects: | |
Online Access: | http://dx.doi.org/10.1080/19475411.2020.1729274 |
Summary: | 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. |
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ISSN: | 1947-5411 1947-542X |