The rational design of polyurea &amp; polyurethane dielectric materials

Lorenzini, Robert G.; Kline, Whitney M.; Wang, C.C.; Ramprasad, Rampi; Sotzing, Gregory A.

doi:10.1016/j.polymer.2013.05.003

Cited by 91 publications

(69 citation statements)

References 16 publications

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“…5 Other efforts to achieve high energy density in dielectric materials are focused on PVDF composites, 6,7 aromatic polyureas and polythioureas, 8,9 hybrid organic/inorganic composites, 10 and the functionalization of polypropylene, 11,12 among others. 13 In line with other research in our group, 14,15,16 we seek to increase the dielectric constant of materials by the inclusion of electronegative atoms into the polymer backbones. 17 The Diels-Alder (DA) reaction involving vinyl sulfones and sulfonates are widely known in the literature for their monofunctional adducts, 18,19,20,21,22,23,24 but to our knowledge, no groups have used them as difunctional dienophiles for inclusion in the backbone of a DA polymer.…”

Section: Introductionmentioning

confidence: 83%

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Diels–Alder polysulfones as dielectric materials: Computational guidance & synthesis

Lorenzini

Greco

Birge

et al. 2014

Polymer

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Section: Introductionmentioning

confidence: 83%

“…14,15 Briefly, a 1mg sample of polymer is added to a small glass test tube, after which it is placed in a custom-made device. The tube was dropped into the heating block of the GC/MS and desorbed materials proceed into the traditional GC/MS architecture.…”

Section: Polymer Desorption Gas Chromatography/mass Spectrometrymentioning

confidence: 99%

Diels–Alder polysulfones as dielectric materials: Computational guidance & synthesis

Lorenzini

Greco

Birge

et al. 2014

Polymer

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“…In a combinatorial and exhaustive manner, each block in the polymer backbone was allowed to be one of the following units: -CH 2 -, -NH-, -C( ¼ O)-, -C 6 H 4 -(benzene), -C 4 H 2 S-(thiophene), -C( ¼ S)-or -O-, which are commonly seen in polymer backbones 29,46,47 . The scheme results in 267 symmetry unique cases.…”

Section: Methodsmentioning

confidence: 99%

Rational design of all organic polymer dielectrics

et al. 2014

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To date, trial and error strategies guided by intuition have dominated the identification of materials suitable for a specific application. We are entering a data-rich, modelling-driven era where such Edisonian approaches are gradually being replaced by rational strategies, which couple predictions from advanced computational screening with targeted experimental synthesis and validation. Here, consistent with this emerging paradigm, we propose a strategy of hierarchical modelling with successive downselection stages to accelerate the identification of polymer dielectrics that have the potential to surpass 'standard' materials for a given application. Successful synthesis and testing of some of the most promising identified polymers and the measured attractive dielectric properties (which are in quantitative agreement with predictions) strongly supports the proposed approach to material selection.

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“…[42][43][44] Herein, we synthesized five phosphorus-containing polyureas 6a-e by polycondensation of the monomer 6 with five diamines a-e (Scheme 2). In the first polymerization experiment, equimolar amounts of the monomer 6 and aliphatic diamines a-c were used.…”

Section: Phosphorus-containing Polymer Synthesismentioning

confidence: 99%

Phosphorus-containing polymers from THPS.I. Design, synthesis, and characterization of novel monomer and polyureas

Tan

Zhang

Guo³

et al. 2014

Designed Monomers and Polymers

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A new phosphorus-containing dicarbamates, di(N-carbomethoxylaminomethyl)benzyl phosphine oxide was first synthesized from tetrakis(hydroxymethyl)phosphonium sulfate (THPS) via five step reactions (Scheme 1), and its structure was proved by FTIR, ( 1 H, 13 C, and 31 P) NMR, and MS. A series of thermally stable phosphorus-containing polyureas were synthesized via trans-ureation polycondensation of the new monomer with aliphatic diamines, including poly(propylene glycol) bis(2-aminopropyl ether), respectively. All of the above polyureas were fully characterized by inherent viscosity, GPC, solubility tests, and thermogravimetric analysis. The thermal gravimetric analysis results showed that the initial breakdown temperature of all phosphorus-containing polyureas was observed at above 265°C while complete weight loss occurred in the region of 406-465°C, which shows all polyureas have good thermal stability. GPC results showed that the maximum number-average molecular weight of the synthesized polyureas reached 59,100 g mol. The solubility tests results demonstrated that incorporating the ether moieties into the polymer main chain can enhance the solubility of polyureas in organic solvents.

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The rational design of polyurea & polyurethane dielectric materials

Cited by 91 publications

References 16 publications

Diels–Alder polysulfones as dielectric materials: Computational guidance & synthesis

Diels–Alder polysulfones as dielectric materials: Computational guidance & synthesis

Rational design of all organic polymer dielectrics

Phosphorus-containing polymers from THPS.I. Design, synthesis, and characterization of novel monomer and polyureas

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