A simplified prediction of entropy of melting for energetic compounds

Daniel C. Evans, Samuel H. Yalkowsky

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


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
Issue number1
StatePublished - Apr 15 2011


  • 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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