Molecular simulation and experimental studies of the miscibility of polylactic acid/polyethylene glycol blends

Adisak Takhulee, Yoshiaki Takahashi, Visit Vao-soongnern

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Computer simulation and experiments were performed to investigate the miscibility of PLA/PEG blends with different PEG concentrations. Flory-Huggins interaction (χ) parameter used to predict the miscibility for the blends was estimated by molecular dynamic simulation of fully atomistic model. The calculated χ parameter and radial distribution function suggest that the PLA and PEG blends are likely miscible at low PEG concentrations (10–30 wt%), but they become apparently immiscible at higher PEG content (>50 wt%). This result is consistent with density distribution of PLA and PEG beads calculated from dissipative particle dynamics simulation of coarse-grained model. To support the computational results, experiments based on differential scanning calorimetry (DSC) and rheometry were also performed. The DSC thermograms of 90:10, 80:20, and 70:30 (wt/wt) of PLA/PEG blends showed a single glass transition and PLA melting peak, indicating PLA/PEG is miscible over this composition. In rheometry, frequency (ω) dependence of storage moduli (G′) at low frequencies for 75:25 and 70:30 blends indicate that these samples are near the phase separation point.

Original languageEnglish
Article number8
JournalJournal of Polymer Research
Volume24
Issue number1
DOIs
Publication statusPublished - Dec 1 2016

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Polyethylene glycols
Solubility
Acids
Differential scanning calorimetry
Computer simulation
Phase separation
Distribution functions
Molecular dynamics
Glass transition
Melting
Elastic moduli
Experiments
monomethoxypolyethyleneglycol-polylactide block copolymer
poly(lactic acid)
Chemical analysis

All Science Journal Classification (ASJC) codes

  • Polymers and Plastics
  • Organic Chemistry
  • Materials Chemistry

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Molecular simulation and experimental studies of the miscibility of polylactic acid/polyethylene glycol blends. / Takhulee, Adisak; Takahashi, Yoshiaki; Vao-soongnern, Visit.

In: Journal of Polymer Research, Vol. 24, No. 1, 8, 01.12.2016.

Research output: Contribution to journalArticle

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