Case Studies, Polymers and Plastics
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The Research Group

  • NSF funded project
  • MIT, (PI: Ellan Spero and Christine Ortiz), Cornell and Swansea Universities with Citrine Informatics
NSF
Massachusetts Institute of Technology (MIT)

Award# ITE-2236190
TIP C-Accel, PM Linda Molnar

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The Problem

  • Toxic additives in PVC plastics are becoming increasingly scrutinized and banned, particularly phthalate plasticizers
  • However, non-toxic replacements have unknown impacts on PVC mechanical performance
  • Identify PVC formulations that remove phthalates but retain plasticity
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The Process

  • Gathered data on plastic ingredients (including plasticizers, fillers, stabilizers, lubricants) and PVC formulations
  • Built ML models to predict mechanical performance and toxicity
  • Optimized plastic formulations for mechanical performance with and without toxicity constraints
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The Outcome

  • Quantitative trade-off of technical (T) performance, with and without ecological (E) and societal (S) constraints
  • Engineers can determine cost of satisfying regulations or supply-chain constraints
Normalized properties, higher is better (e.g., less toxic)

Saal, Hegde, Ortiz, Spero, et al., publication in preparation