Molecular Details of Polyester Decrystallization via Molecular Simulation

Molecular Details of Polyester Decrystallization via Molecular Simulation

Waste polyesters are a potential feedstock for recycled and upcycled products. These polymers are generally semicrystalline, which presents a challenge for chemical and biological recycling to monomers, and thus the thermodynamic work associated with polyester decrystallization is an important consi...

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Bibliographic Details
Main Author: Daria Lazarenko (10886040) (author)
Other Authors: Graham P. Schmidt (20692740) (author), Michael F. Crowley (122196) (author), Gregg T. Beckham (122200) (author), Brandon C. Knott (1717783) (author)
Published: 2025
Subjects:
Biophysics
Biochemistry
Medicine
Evolutionary Biology
Cancer
Computational Biology
Chemical Sciences not elsewhere classified
Physical Sciences not elsewhere classified
thermodynamic work associated
per repeat unit
free energy required
efficient plastic processing
decrystallization work ranges
approximately 15 kcal
semicrystalline synthetic polyesters
semiaromatic polyesters
polyester decrystallization
generally semicrystalline
8 kcal
upcycled products
structural basis
solvent selections
single chain
scientifically important
results indicate
potential feedstock
new materials
molecular interactions
molecular details
insight gained
important consideration
five commercially
depolymerization strategies
crystal surface
biological recycling
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