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High-Throughput Screening Workflow for the Discovery of Polymeric Materials with Novel Combinations of Properties

IP.com Disclosure Number: IPCOM000126947D
Publication Date: 2005-Aug-15
Document File: 4 page(s) / 90K

Publishing Venue

The IP.com Prior Art Database

Abstract

Disclosed is a workflow for the high-throughput synthesis and screening of arrays of catalysts to produce novel polymeric materials that possess combinations of properties that are different from those of known polymeric materials of the same general composition (i.e., prepared using a single or common set of polymerizable monomers). Specifically, the workflow is described in Schemes 1a and 1b and below:

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High-Throughput Screening Workflow for the Discovery of Polymeric Materials with Novel Combinations of Properties

Disclosed is a workflow for the high-throughput synthesis and screening of arrays of catalysts to produce novel polymeric materials that possess combinations of properties that are different from those of known polymeric materials of the same general composition (i.e., prepared using a single or common set of polymerizable monomers). Specifically, the workflow is described in Schemes 1a and 1b and below:

(1)    High-throughput synthesis and screening of arrays of catalysts from combinations of metals, ligands, activators, under various process conditions that produce polymeric materials that are potentially novel (novelty is defined in (4) below).

(2)    Characterization of the arrays of potentially novel polymeric materials using a combination of two or more analytical techniques, and the establishment of relationships and trends between these properties.

(3)    Comparison of the relationships or trends between combinations of two or more properties of the potentially novel polymeric materials with those of known polymeric materials having the same general composition (i.e., having been prepared from the same polymerizable monomer(s)).

(4)    Establishing the presence of novel polymers, where novelty is defined by a polymer that has an unexpected relationship or trend between two or more properties as compared to that established for the known polymers.

The known polymeric materials may be synthesized and characterized using high-throughput or traditional one-at-a-time techniques. The workflow provides for the creation of arrays of catalysts from combinations of metals, ligands, and activators (assembled in any order) to be used in polymerization reactions that can be studied using high-throughput methodologies, including primary and secondary screening. The workflow also provides for a suite of characterization techniques useful in establishing properties of the polymeric materials produced. A representative, non-exhaustive listing of suitable characterization techniques that can be used in this workflow are summarized below:

•     FTIR: comonomer content, crystallinity

•     Raman Spectroscopy: comonomer content, crystallinity

•     GPC: MW and Polydispersity

•     Birofringence: thermal properties (Tm, Tc, Tg, ΔH), crystallinity

•     SAMMS: thermal properties (Tm, To, Tg, At-I)

•     X-Ray Diffraction: crystallinity

•     Ultrasonic Measurements: crystallinity, density

•     Refractive Index: crystallinity, density

•     DMTA: rhelogical properties (viscoelastic moduli)

•     Nuclear Relaxation: crystallinity, density

•    Mass/Volume Measurements: density

•    TREF: solubility

Currently, some high-throughput workflows for discovery and optimization are focused on synthesis of new or improved catalysts for the preparation of known polymeric mat...