2025 AIChE Annual Meeting

(278g) Screening of Plasticizers for Bioplastics

Authors

Taiwo Adesanya - Presenter, University of Illinois Chicago
Ezinne Achinivu, Sandia National Labs
The development of bioplastics as substitutes for single-use plastics such as LDPE is met with the challenge of brittleness despite other performance-advantaged properties. This study evaluates the mechanistic origin of brittleness in bioplastics, the effects of plasticizers on the mechanical properties are screened and investigates the compatibility, plasticizer-biopolymer phase diagram, processability, performance, and sustainability metrics of best candidates. Using cellulose, polylactic acid, and polyhydroxyl alkanoates (PHAs) as case studies for brittleness and biodegradable poly(butylene adipate-co-terephthalate) (PBAT) and LDPE as ductile polymers, the effects of biopolymer configuration impact its elongation are evaluated. Molecular dynamics and machine learning screening of candidates from over 30,000 plasticizers across various groups such as bioplasticizers, biodegradable plasticizers, abietates, adipates, alkyl sulfonates, azelates, benzoates, citrates, oleates, epoxides, etc. excluding toxic plasticizers like phthalates. The most desirable candidates are evaluated for other processing and performance properties, including viscosity, phase diagrams, and permeability, and then experimental validation is performed on the most suitable candidates. Using process simulation, techno-economic analysis (TEA), and life cycle analysis (LCA), the material and energy balance, economic viability, and potential environmental impact assessment of plasticizers on bioplastics will be evaluated. This study investigates the mechanical properties of biodegradable plastics, considering the reasons for brittleness, identifying the most suitable plasticizer to improve the elasticity, and ascertaining plasticizers' effect on processing, performance properties, cost, and the environment.