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Exploring Mechanaphore and Polymer Design Rules for Mechanochemical Transduction

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Technical Report,01 May 2015,30 Apr 2018

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University of Washington Seattle United States

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Major Goals At the outset of our proposed work, we had established the following goals 1 Computational Modeling and Identification of Target Flex Activated Mechanophores. For each model mechanophore, relaxed potential energy surface scans will be conducted in a method consistent with the envisioned effects of mechanical force upon the molecule. We will use the computational results in combination with experimental reactivities to establish guidelines for predicting mechanochemical transformations via flex activation. 2 Synthesis of Flex Activated Mechanophores and Incorporation into Polymers and Crosslinked Networks. We will synthesize flex activated mechanophores designed to release small molecules without degradation of the polymer main chain. These will be incorporated into linear polymers and crosslinked networks for solid state and solution-based studies. Particular focus will be placed on incorporating mechanophores into elastomeric materials capable of multiple cycles of mechanical activation with shape recovery following each cycle. 3 Evaluation of Flex Activated Mechanophores in Solution and Solid State. We will use a combination of solution techniques and solid state methods to evaluate the mechanochemical reactivity of the mechanophores. Quantitative assessment of percent activation as a function of applied load will bedetermined, and correlations between material type, method of applying stress, mechanophore structure, and calculated activation energies from Aim 1 will be investigated. During the course of the project, we added the following goals A1 Evaluation of mechanophores as tools in additive manufacturing. A2 Fundamental investigations of metal-free ring-opening metathesis polymerization

Subject Categories:

  • Polymer Chemistry
  • Printing and Graphic Arts

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