A simplified prediction of entropy of melting for energetic compounds

Daniel C. Evans, Samuel H. Yalkowsky

Research output: Contribution to journalArticle

10 Scopus citations

Abstract

A new widely applicable model for the prediction of the entropy of melting of organic compounds is presented. The use of three simple geometry based parameters: rotational symmetry, flexibility, and eccentricity enables the simple and accurate prediction of this important property. This paper demonstrates the use of the model for energetic compounds.

Original languageEnglish (US)
Pages (from-to)10-14
Number of pages5
JournalFluid Phase Equilibria
Volume303
Issue number1
DOIs
StatePublished - Apr 15 2011

Keywords

  • Energetic
  • Entropy
  • Melting
  • Nitro-aromatic
  • Prediction

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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