The significance of interaction potentials of water with other molecules in the EOS of high explosives products

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The chemical equilibrium and thermodynamic properties of detonated explosive mixtures at high temperature (T) and pressure (P) depend critically on all interactions between the major products. Improvements in the homomolecular interaction of nitrogen, carbon-dioxide, and condensed carbon have had significant effects on detonation properties of LX-14 (an HMX formulation). Extensive work on O, N, and C products also showed the importance of including high temperature unstable species in determining the potential-constant of the major products of detonation. That work also showed the need to improve the unlike pair interaction constants in our statistical mechanical chemical equilibrium theory (CHEQ). Thirdly, a ... continued below

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10 p.

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van Thiel, M.; Ree, F. H. & Haselman, L. C. Jr. July 1, 1993.

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The chemical equilibrium and thermodynamic properties of detonated explosive mixtures at high temperature (T) and pressure (P) depend critically on all interactions between the major products. Improvements in the homomolecular interaction of nitrogen, carbon-dioxide, and condensed carbon have had significant effects on detonation properties of LX-14 (an HMX formulation). Extensive work on O, N, and C products also showed the importance of including high temperature unstable species in determining the potential-constant of the major products of detonation. That work also showed the need to improve the unlike pair interaction constants in our statistical mechanical chemical equilibrium theory (CHEQ). Thirdly, a recent comparison of experimental and theoretical detonation velocities (D) indicated that the original set of interaction potentials used contains canceling errors that limit the overall effectiveness of the code as a predictor of high P and T properties of reactive mixtures. This study proceeds from explosives with simple product mixtures, RX-23-AB, HNB, and PETN, to HMX-like mixtures. The present set of potential constants is compared to the experimental EOS used for a number of experimental systems that use LX-14.

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10 p.

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OSTI as DE94008290; Paper copy available at OSTI: phone, 865-576-8401, or email, reports@adonis.osti.gov

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  • 10. detonation symposium,Boston, MA (United States),12-16 Jul 1993

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  • Other: DE94008290
  • Report No.: UCRL-JC--111525
  • Report No.: CONF-930713--34
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 10133626
  • Archival Resource Key: ark:/67531/metadc1311552

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  • July 1, 1993

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  • Nov. 3, 2018, 11:47 a.m.

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  • Nov. 12, 2018, 8:02 p.m.

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van Thiel, M.; Ree, F. H. & Haselman, L. C. Jr. The significance of interaction potentials of water with other molecules in the EOS of high explosives products, article, July 1, 1993; California. (digital.library.unt.edu/ark:/67531/metadc1311552/: accessed December 14, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.