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Calculation and Analysis of Hydrophobicity of the Dyes Synthesized for Unmodified Polypropylene Fibers Using Molecular Descriptors

  • Textile Coloration and Finishing
  • Abbr : Text. Color. and Finish.
  • 2009, 21(5), pp.21-26
  • Publisher : The Korean Society Of Dyers And Finishers
  • Research Area : Engineering > Fiber Engineering > Dyeing Engineering

김태경 1 장경진 1 전선희 1

1경북대학교

Accredited

ABSTRACT

In order to analyze numerically the hydrophobicity of the new dyes synthesized for unmodified pure polypropylene fibers, the octanol-water partition coefficient (logP), which is one of molecular descriptors representing hydrophobicity of organic compounds, was obtained by a semi-empirical method using Chem3D software. For the dyes of higher logP than around 5, the affinity of the dyes towards unmodified polypropylene fiber was substantial. In contrast to the new dyes for polypropylene, conventional disperse dyes have logP values lower than 5 and exhibited poor affinity.

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