Work

Prediction of compatibility and chemical structure influencing plasticization of poly(3-hydroxybutyrate-co-4-hydroxybutyrate) (P3HB4HB)

Year: 2025

Type: article

Abstract: This study aims to predict the plasticization of poly(3-hydroxybutyrate-co-4-hydroxybutyrate) (P3HB4HB) using two theoretical approaches: polymer–plasticizer compatibility via Hansen solubility parameters, and the chemical structure of polymers through the prediction of the entanglement molecular weight (M e ) based on Van Krevelen's method. Hansen solubility parameters were calculated for three P3HB4HB copolymers with varying 4HB molar contents (10 %, 15 % and 30 %), allowing for the identification of potentially compatible plasticizers. In parallel, M e was theoretically predicted and compared to experimental rheological measurements. The discrepancies observed highlight the significant influence of crystallinity, particularly the size and distribution of spherulites, on the viscoelastic behavior of the materials. The transition to the rubbery plateau, analyzed through oscillatory rheology, confirmed the decisive role of the semi-crystalline structure in governing polymer chain mobility. This dual approach, combining chemical modeling and experimental validation, provides a deeper understanding of the plasticization mechanisms of P3HB4HB. It represents a valuable tool for guiding the formulation of more efficient bio-based materials tailored to industrial requirements. • The PHA plasticization was studied using Hansen solubility parameters and Van Krevelen method. • The significant influence of crystallinity, specially the size and distribution of spherulites, on the viscoelastic behavior of the materials has been highlighted. • The combination between modeling and experimental validation provides a deeper understanding of PHA plasticization.

Source: Polymer

Authors: Erwan Vasseur, Louis Leveuf, Vincent Le Saux, Stéphane Bruzaud

Institutions: Centre National de la Recherche Scientifique, Institut de Recherche Dupuy de Lôme, Institut Polytechnique de Paris

Language: English

Topic: biodegradable polymer synthesis and properties

Subfield: Biomaterials

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,980

Funders: Université Bretagne Sud, Association Nationale de la Recherche et de la Technologie

Award: G5774052819