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VOL. 10, ISSUE 3 (2025)
Thermodynamic modeling of P(3HB)-based copolymers: Structural insights into degradation stability and energetics
Authors
Ajay Kuvar, Dr. Vikas Dubey
Abstract
Thermodynamic calculations and simulated thermal
analysis were combined to study the degradation of three
poly(3-hydroxybutyrate) [P(3HB)]-based copolymers: P(3HB-co-3HV),
P(3HB-co-4HB), and P(3HB-co-3HHx). Thermodynamic parameters (ΔG, ΔHf, Tm, Tg)
values were prepared using computational approach. Modeling of the onset
degradation temperature (To), the peak decomposition temperature (Tp), was
examined by means of the simulated thermogravimetric analysis (TGA) and the
differential scanning calorimetry (DSC) and the activation energy (Ea). Strong
relationships between molecular structure and thermal stability were exposed.
P(3HB-co-3HV) showed the best thermodynamic and thermal stability, reflected in
higher crystallinity, larger ΔH and delayed degradation time. On the other
hand, the lowest stability was offered by P(3HB-co-3HHx) since more chain
disorder and lower cohesive energy were observed. The behaviour of
P(3HB-co-4HB) was intermediate, indicating the importance of chain flexibility
in achieving a compromise between crystallinity and stability. These results
verify that thermal degradation is strongly correlated with the competition of
molecular architecture, chain mobility, and thermodynamic driving forces, which
is in turn testable in computational models with carefully selected parameters
and validated by the experimental trends. Such a combined use constitutes a
basis for an intelligent design of biodegradable polymers having predetermined
thermal properties for given applications.
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Pages:1-7
How to cite this article:
Ajay Kuvar, Dr. Vikas Dubey "Thermodynamic modeling of P(3HB)-based copolymers: Structural insights into degradation stability and energetics". National Journal of Multidisciplinary Research and Development, Vol 10, Issue 3, 2025, Pages 1-7
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