Polymer designs for high energy density applications with high dielectric strength and dielectric constant at high temperature
AssigneeGeorgia Tech Research Corporation
InventorsRampi Ramprasad, Rishi Gurnani
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Abstract
An exemplary embodiment of the present disclosure provides a method of designing a polymer. The method can include: providing a set of polymer data; generating a set of polymer structures; providing one or more target properties for the polymer, predicting properties of each polymer structure of the set of polymer structures, and design considerations for the set of polymer structures; and selecting one or more polymer structures from the set of polymer structures, based at least in part, on the predicted properties of the polymer structures. The polymer data can include a set of monomer structures.
Claims20
A dielectric polymer having the following structure:
- wherein X is selected from oxygen and carbon, R1 is selected from a methyl group, hydrogen, and chlorine, R2 is selected from chlorine, a methyl group, and hydrogen, R3 is selected from hydrogen and a methyl group, R4 is selected from hydrogen and chlorine, and R5 is selected from hydrogen and chlorine.
A method of designing a polymer, the method comprising:
- providing a set of polymer data;
- generating a set of polymer structures;
- providing one or more target properties for the polymer;
- predicting properties of each polymer structure of the set of polymer structures, and design considerations for the set of polymer structures;
- and
- selecting one or more polymer structures from the set of polymer structures, based at least in part, on the predicted properties of the polymer structures, wherein the polymer data includes a set of monomer structures.
A method of generating a structure for a polymer, the method comprising:
- curating a database of commercially-available monomer structures;
- selecting a polymerization reaction;
- selecting a subset of the database of monomer structures;
- simulating a transformation via the polymerization reaction of the monomer structures of the subset into a set of polymer repeat unit structures;
- predicting one or more respective properties of each polymer repeat unit structure of the set of polymer repeat unit structures;
- and
- selecting a polymer repeat unit structure of the set of polymer repeat unit structure based on the one or more respective properties.
Dependencies are inferred from the claim text.