Structural Stability of Isocyanurate Polyisocyanate.

DOI
  • KASE Mitsuo
    Kanto R & D Center, Dainippon Ink and Chemicals Inc.
  • AOKI Eiichi
    Central Research Laboratories, Dainippon Ink and Chemicals Inc.
  • TACHIKAWA Yutaka
    Central Research Laboratories, Dainippon Ink and Chemicals Inc.

Bibliographic Information

Other Title
  • イソシアヌレート型ポリイソシアネートの構造的な安定性

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Description

The structural stability of isocyanurate polyisocyanate, derived from hexamethylene diisocyanate, was studied by semi-empirical molecular orbital calculation using PM3 program of MOPAC 6.0 and thermal analysis; the results were compared to those for adduct polyisocyanate and biuret polyisocyanate. The calculated values of heat of formation (ΔH) in elimination of hexamethylene diisocyanate from corresponding polyisocyanate were as follows: isocyanurate, adduct, and biuret polyisocyanate: 39.5, 17.2, and 20.3 kcal/mol, respectively. The calculated values of activation energy (ΔE) in elimination of butyl isocyanate from corresponding polyisocyanate models were as follows: isocyanurate, adduct, and biuret polyisocyanate: 66.5, 58.5, and 51.6 kcal/mol, respectively. The tendency of thermal stability of each polyisocyanate observed by thermogravimetric analysis, was the same as the order of values of activation energy of the above elimination reaction. Structural stability of isocyanurate polyisocyanate was quantitatively shown by the values of activation energy in the elimination of butyl isocyanate from each polyisocyanate model.

Journal

  • KOBUNSHI RONBUNSHU

    KOBUNSHI RONBUNSHU 55 (9), 526-532, 1998

    The Society of Polymer Science, Japan

Keywords

Details 詳細情報について

  • CRID
    1390282681498769536
  • NII Article ID
    130003837631
  • DOI
    10.1295/koron.55.526
  • ISSN
    18815685
    03862186
  • Text Lang
    ja
  • Data Source
    • JaLC
    • Crossref
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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