CHINESE JOURNAL OF ENERGETIC MATERIALS
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Calculated Lattice Energies of Energetic Materials in a Prediction of their Heats of Fusion and Sublimation
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    Abstract:

    The paper specifies an unambiguous basic relationship between the published results of ab initio calculations of lattice energies,EL,and heats of sublimation,ΔHs,of individual energetic materials. In this relationship,the ΔHs value has been replaced by heats of fusion,ΔHm,tr. Thereby its unambiguity has been lost,and the similarity of details of molecular structure begins to be of decisive importance. The resulting partial relationships,together with the basic relationship,have been used for prediction of ΔHs,and ΔHm,tr values of technically attractive polynitro compounds.

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Svatopluk Zeman, Miloslav Krupka. Calculated Lattice Energies of Energetic Materials in a Prediction of their Heats of Fusion and Sublimation(英)[J].含能材料,2002,10(1):27-33.
Svatopluk Zeman, Miloslav Krupka. Calculated Lattice Energies of Energetic Materials in a Prediction of their Heats of Fusion and Sublimation[J]. Chinese Journal of Energetic Materials,2002,10(1):27-33.

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History
  • Received:October 30,2001
  • Revised:
  • Adopted:
  • Online: November 02,2011
  • Published: