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Award Abstract # 2132133
EFRI E3P: CAS: Transformative Upcycling of Polymers by Activating Chemistries

NSF Org: EFMA
Office of Emerging Frontiers in Research and Innovation (EFRI)
Recipient: UNIVERSITY OF ALABAMA
Initial Amendment Date: August 5, 2021
Latest Amendment Date: March 21, 2024
Award Number: 2132133
Award Instrument: Standard Grant
Program Manager: Christina Payne
cpayne@nsf.gov
 (703)292-2895
EFMA
 Office of Emerging Frontiers in Research and Innovation (EFRI)
ENG
 Directorate for Engineering
Start Date: August 15, 2021
End Date: July 31, 2025 (Estimated)
Total Intended Award Amount: $1,999,900.00
Total Awarded Amount to Date: $2,031,900.00
Funds Obligated to Date: FY 2021 = $1,999,900.00
FY 2023 = $16,000.00

FY 2024 = $16,000.00
History of Investigator:
  • Jason Bara (Principal Investigator)
    jbara@eng.ua.edu
  • Christoffer Turner (Co-Principal Investigator)
  • Steven Weinman (Co-Principal Investigator)
  • Amanda Koh (Co-Principal Investigator)
  • Tibor Szilvasi (Co-Principal Investigator)
  • Paul Rupar (Former Co-Principal Investigator)
Recipient Sponsored Research Office: University of Alabama Tuscaloosa
801 UNIVERSITY BLVD
TUSCALOOSA
AL  US  35401-2029
(205)348-5152
Sponsor Congressional District: 07
Primary Place of Performance: University of Alabama Tuscaloosa
Tuscaloosa
AL  US  35478-0104
Primary Place of Performance
Congressional District:
07
Unique Entity Identifier (UEI): RCNJEHZ83EV6
Parent UEI: TWJWHYEM8T63
NSF Program(s): PROJECTS,
EFRI Research Projects
Primary Program Source: 01002324DB NSF RESEARCH & RELATED ACTIVIT
01002425DB NSF RESEARCH & RELATED ACTIVIT

01002122DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 090Z, 8037, 9150, 9251
Program Element Code(s): 197800, 763300
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.041

ABSTRACT

This project envisions a transformative ?upcycling? of common end-of-life plastics (ELPs) by depolymerization (i.e., deconstruction) mechanisms that are achieved using ?activating? chemistries. These activating chemistries are straightforward, scalable chemical reactions that modify the waste polymers such that the subsequent depolymerization products are much more valuable and useful than products obtained through conventional recycling or established depolymerization chemistries. This project focuses on enabling depolymerization and upcycling of two of the most difficult to recycle polymers - poly(vinyl chloride) (PVC) and polyurethane (PU) materials. The global demand for PVC and PU products continues to grow despite the lack of any viable recycling methods for these materials. This project will develop novel methods for converting waste PVC to small molecules that have existing uses as chemical intermediates, consumer products, solvents, and other end-uses. Similarly, polyurethane (PU) materials will be broken down into more valuable molecules via reactions that yield carbon-carbon double bonds in the final products. Oligomers (the products of partial depolymerization) derived from PVC and poly(ethylene terephthalate) (PET) will be used to form thermoplastic elastomers (TPEs). Unlike thermoset elastomers, TPEs can be melted, molded, reprocessed, are potentially easier to recycle, and are much more valuable than typical thermoset elastomers and plastics. The project provides highly interdisciplinary research training for graduate and undergraduate students and creates an annual summer immersion experience for high school students in Tuscaloosa, AL. The summer immersion experience is expected to instill a personal investment in helping to eliminate ELPs from the environment and to explore the students? interest in pursuing engineering as a career. A synergistic activity for high school students aligned with the American Chemical Society Project SEED is planned at Iowa State University.

With support from the Engineering Directorate's Division of Emerging Frontiers and Multidisciplinary Activities and the Division of Chemistry, this project will recover the intrinsic value ?locked away? within ELPs by using activating chemistries that enable new depolymerization products from ELPs. These enabling technologies will incentivize recovery rather than disposal (which is a particular concern for ?hard to recycle? materials such as PVC and PU), reduce dependence on petroleum resources, and prevent plastic wastes from polluting the environment. The project will create transformative new avenues for upcycling common ELPs via activating chemistries and subsequent depolymerization into value-added small molecules, including methods that recombine these molecules into more useful and durable polymer products. A fundamental understanding of how to convert these wastes into valuable small molecules will be gained through an integrated experimental-computational approach that examines the proper conditions for PVC and PU activation and depolymerization. The synthesis of TPE materials via partial depolymerization of PET and PVC and subsequent recombination of these oligomers promises to create much more valuable and useful polymer materials from waste. The research plan emphasizes understanding reaction mechanisms and selectivity, product analysis/identification, separation of the depolymerization products of PVC and PU, and characterization of TPE materials.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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(Showing: 1 - 10 of 14)
Qu, Taoguang and Rupar, Paul A. "Carbonyl Aziridines: Strained Amides for Rapid Polyamide Synthesis" Macromolecules , v.55 , 2022 https://doi.org/10.1021/acs.macromol.2c01748 Citation Details
Olowookere, Feranmi V and Turner, C Heath "Predicting optimal chain lengths in atomistic simulations of solvated polymers" Molecular Simulation , v.50 , 2024 https://doi.org/10.1080/08927022.2024.2341964 Citation Details
Al Alshaikh, Ali and Bara, Jason E. "Chlorinated Plastics Offer Unique Opportunities and Challenges in Upcycling" Polymer International , 2024 https://doi.org/10.1002/pi.6621 Citation Details
Bepari, Mousumi R and Sullivan, Lauren R and OHarra, Kathryn E and Barbosa, Gabriel D and Turner, C Heath and Bara, Jason E "Depolymerizing Polyethylene Terephthalate (PET) via Imidazolysis for Obtaining a Diverse Array of Intermediates from Plastic Waste" ACS Applied Polymer Materials , v.6 , 2024 https://doi.org/10.1021/acsapm.4c01525 Citation Details
Esfahani, Milad R and Weinman, Steven T "Membranes from upcycled waste plastics: current status, challenges, and future outlook" Current Opinion in Chemical Engineering , v.48 , 2025 https://doi.org/10.1016/j.coche.2025.101106 Citation Details
Ezendu, Sophia and Soyemi, Ademola and Szilvási, Tibor "Multiscale simulation of plastic transformations: The case of baseassisted dehydrochlorination of polyvinyl chloride" AIChE Journal , v.70 , 2024 https://doi.org/10.1002/aic.18559 Citation Details
Olajide, Gbolagade and Szilvási, Tibor "Quantum tunnelling dominates chloride leaching from polyvinyl chloride" Chemical Communications , v.60 , 2024 https://doi.org/10.1039/D4CC03489A Citation Details
Olowookere, Feranmi V and Al_Alshaikh, Ali and Bara, Jason E and Turner, C Heath "Effects of chain length on the structure and dynamics of polyvinyl chloride during atomistic molecular dynamics simulations" Molecular Simulation , v.49 , 2023 https://doi.org/10.1080/08927022.2023.2234493 Citation Details
Olowookere, Feranmi V and Barbosa, Gabriel D and Turner, C Heath "Characterizing Polyvinyl Chloride Interactions with Additives in Traditional and Bioderived Solvents" Industrial & Engineering Chemistry Research , v.63 , 2024 https://doi.org/10.1021/acs.iecr.3c03809 Citation Details
Olowookere, Feranmi V and Barbosa, Gabriel D and Turner, C Heath "Coarse-Grained Molecular Dynamics Modeling of Polyvinyl Chloride: Solvent Interactions, Mechanical Behavior, and Dehydrochlorination Effects" Macromolecules , v.56 , 2023 https://doi.org/10.1021/acs.macromol.3c02211 Citation Details
Olowookere, Feranmi V and Turner, C Heath "An integrated off-lattice kinetic Monte Carlo (KMC)-molecular dynamics (MD) framework for modeling polyvinyl chloride dehydrochlorination" Chemical Engineering Science , v.302 , 2025 https://doi.org/10.1016/j.ces.2024.120928 Citation Details
(Showing: 1 - 10 of 14)

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