JCZS: An Intermolecular Potential Database for Performing Accurate Detonation and Expansion Calculations

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Exponential-13,6 (EXP-13,6) potential pammeters for 750 gases composed of 48 elements were determined and assembled in a database, referred to as the JCZS database, for use with the Jacobs Cowperthwaite Zwisler equation of state (JCZ3-EOS)~l) The EXP- 13,6 force constants were obtained by using literature values of Lennard-Jones (LJ) potential functions, by using corresponding states (CS) theory, by matching pure liquid shock Hugoniot data, and by using molecular volume to determine the approach radii with the well depth estimated from high-pressure isen- tropes. The JCZS database was used to accurately predict detonation velocity, pressure, and temperature for 50 dif- 3 ... continued below

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Baer, M.R.; Hobbs, M.L. & McGee, B.C. November 3, 1998.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Laboratories, Albuquerque, NM, and Livermore, CA
    Place of Publication: Albuquerque, New Mexico

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Exponential-13,6 (EXP-13,6) potential pammeters for 750 gases composed of 48 elements were determined and assembled in a database, referred to as the JCZS database, for use with the Jacobs Cowperthwaite Zwisler equation of state (JCZ3-EOS)~l) The EXP- 13,6 force constants were obtained by using literature values of Lennard-Jones (LJ) potential functions, by using corresponding states (CS) theory, by matching pure liquid shock Hugoniot data, and by using molecular volume to determine the approach radii with the well depth estimated from high-pressure isen- tropes. The JCZS database was used to accurately predict detonation velocity, pressure, and temperature for 50 dif- 3 Accurate predictions were also ferent explosives with initial densities ranging from 0.25 glcm3 to 1.97 g/cm . obtained for pure liquid shock Hugoniots, static properties of nitrogen, and gas detonations at high initial pressures.

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  • Journal Name: Propellants, Explosives, Pyrotechnics

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  • Other: DE00001525
  • Report No.: SAND98-2452J
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 1525
  • Archival Resource Key: ark:/67531/metadc625898

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  • November 3, 1998

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  • June 16, 2015, 7:43 a.m.

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  • Nov. 29, 2016, 4:38 p.m.

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Baer, M.R.; Hobbs, M.L. & McGee, B.C. JCZS: An Intermolecular Potential Database for Performing Accurate Detonation and Expansion Calculations, article, November 3, 1998; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc625898/: accessed November 20, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.