Redesign and Modeling

The BOTTLE^™ Redesign Task will develop new polymers with equivalent or advantaged properties, recyclability, and improved life cycle metrics. In the Modeling Task, BOTTLE uses first-principles modeling, machine learning, pathway prediction tools, and kinetic modeling to understand reactions, guide process development, and inform pathway design to convert molecular intermediates to building blocks for performance-advantaged polymers. Below are exemplary projects for each of these tasks.

Redesign

• Mono-material product design using BOTTLE's polyhydroxyalkanoate (PHA) platform
• Redesigned PHAs as high-melting textile fibers
• Hybrid monomer design for closed-loop recycling of mixed plastics
• Performance-advantaged polymer processing.

Modeling

• Computational tool development to design pathways to building blocks for performance-advantaged polymers
• Machine learning-based prediction of polymer properties
• Kinetic modeling of polymer deconstruction chemistries.

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