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  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 80 (1996), S. 6129-6141 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Sound speeds, at pressure, and the overdriven Hugoniot were measured for the plastic-bonded explosive PBX-9501. The two curves intersect at the Chapman–Jouguet (CJ) state because of the sonic condition D=c+u. This permitted a novel determination of the "thermodynamic'' CJ pressure. A value of 34.8±0.3 GPa was obtained. The data permit a direct experimental determination of the isentropic gamma, γS=−(∂lnP/∂lnV)S, and the Grüneisen parameter, γ=V(∂P/∂E)V, in the overdriven pressure range. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 325-336 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A two-stage light gas gun and single-pulse multiplex coherent anti-Stokes Raman scattering (CARS) have been used to obtain carbon monoxide, nitrogen, and oxygen vibrational spectra for several high-pressure/high-temperature, dense fluid, carbon monoxide–oxygen, and nitrogen–oxygen mixtures. The experimental spectra were compared to synthetic spectra calculated with a semiclassical model for CARS intensities and using best fit vibrational frequencies, peak Raman susceptibilities, and Raman linewidths for each mixture component. Up to a maximum shock pressure of 6.75 GPa for carbon monoxide–oxygen mixtures, the CO and O2 vibrational frequencies were found to increase monotonically with pressure and depended on the carbon monoxide–oxygen mixture ratio. For the nitrogen–oxygen mixtures, the N2 vibrational frequency increased monotonically with pressure to a maximum experimental pressure of 12.9 GPa, however the O2 vibrational frequency increased with pressure to about 11 GPa and then appeared to decrease slightly as the pressure increased to the experiment maximum of 12.9 GPa. Empirical fits of the measured Raman frequencies incorporating previously published neat nitrogen, carbon monoxide, and oxygen data and using a functional form dependent on pressure, temperature, and mixture ratio, accurately describe the N2 , CO, and O2 vibrational frequency shifts for both the carbon monoxide–oxygen and the nitrogen–oxygen mixtures. The transition intensity and linewidth data suggest that thermal equilibrium of the vibrational levels is attained in less than 10 ns at these shock pressures. The vibrational temperatures obtained for the nitrogen–oxygen mixtures were used to improve the oxygen potential function used to calculate equation-of-state pressures and temperatures. The measured linewidths for CO, N2 , and O2 were different for the different mixtures and did not appear to depended significantly on mixture ratios. The broadening of all spectral lines suggested that the vibrational dephasing time for each species decreased to a few ps at the highest pressure shock states. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 62 (1987), S. 2080-2085 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The clustering of carbon in the detonation regime is studied with the assumption of a diffusion-limited clustering process. The diffusion constants are determined from modified Enskog theory and the Stokes–Einstein relation. With the size dependence of the cluster energy treated with a surface term, the energy difference between clusters and bulk carbon has an asymptotic time dependence of t−1/3. That is, for any given time it takes 1000 times as long to release the next 90% of the carbon energy. This leads to a very slow "reaction rate'' which can couple to the reaction zone to produce nonideal time-dependent detonations on the scale of microseconds and centimeters. In addition, any "bottleneck'' in the clustering process due to a sticking coefficient of less than one leads to a temporary delay in energy release that persists out to times several orders of magnitude larger than the time scale of the initial effect of the "bottleneck.''
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 88 (2000), S. 6287-6293 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Continuous release isentropes for the plastic-bonded explosive PBX-9501 are obtained from velocity interferometer system for any reflector measurements at a high-explosive/LiF interface. Forward calculations from a tabular representation of the isentropes to the measured u(t) data at the interface are iterated to yield isentropes that give agreement with the data. Curves for the isentropes and for the isentropic gamma, γS=−(∂lnP/∂lnV)S are presented. Because isentropes from different overdriven states differ, a crude estimate of the Grüneisen parameter is obtained. An overall representation of the data is achieved with this Grüneisen parameter and a single isentrope through the Chapman–Jouguet state. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 5479-5485 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present the results of a calculation of the N2–N2 intermolecular potential using the modified Gordon–Kim (electron–gas) model with damped-dispersion terms (MGKD potential). The calculated potential agrees well in the well region with other proposed potentials. An analytical form that fits the potential with an average error of 0.2% from the well region to 30 kK on the repulsive wall is given. Solid-state properties, such as the 0 K phase diagram and the pressure–volume curve, are calculated and are in good agreement with experiment. As a test of the repulsive region, the shock Hugoniot calculated with this potential is compared with experiment and also shows good agreement.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 1271-1275 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We examine the fluid thermodynamics of a model homonuclear diatomic system with anisotropies characteristic of CO2. The density (CO2 densities) and temperature regime is 1.6 g/cm3(approximately-less-than)ρ(approximately-less-than)2.6 g/cm3 and 1000 K(approximately-less-than)T(approximately-less-than)7000 K. Extensive molecular dynamics data for the model equation of state are presented. Comparisons are then made to the thermodynamics from three effective spherical potentials; the potential median, the radial median, and an exponential-six with parameters adjusted to best fit the true thermodynamics. The two median potentials typically give 3% agreement for the higher temperature fluid with a 5%–10% comparison nearer the freezing line for both pressure and internal energy while the fit is good to 3% or better. Thus there exists an effective spherical potential that very accurately models the thermodynamics of dense fluid CO2, a system whose potential energy in the repulsive region varies by three to four orders of magnitude as a function of angles with fixed center of mass separation. The median averages give an excellent representation of this effective spherical potential.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 3765-3772 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Molecular dynamics (MD) simulation data for rigid diatomic models of N2 and CO2 under conditions of extremely high density and temperature are analyzed for static correlation functions. The results show some significant qualitative differences from those for diatomic fluids at normal densities and temperatures (i.e., near the triple point). For a single thermodynamic state of N2, the radial distribution functions (RDFs) of the (spherical) RAM and median potentials are found, also by MD. Whereas the median gives good thermodynamic results and poor centers correlation functions, RAM produces just the opposite. Thus no explanation in terms of distribution functions is found for the success of the median for thermodynamics although an empirical correlation is found between the breakdown of median thermodynamics for CO2 and a distinctive feature of the molecular correlation functions.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 3479-3483 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: For a certain class of thermodynamic perturbation theories, a generalization of the Gibbs–Bogoliubov inequality holds through second order of perturbation theory and for a subset of terms the inequality is true to infinite order. Using this approximate variational principle, a perturbation theory is chosen for which the Helmholtz free energy of the reference system is minimized under the constraint that the first order term is identically zero. We apply these ideas to the determination of effective spherical potentials that accurately reproduce the thermodynamics of nonspherical molecular potentials. For a diatomic-Lennard-Jones (DLJ) potential with l/σ=0.793, the resulting spherical reference potential is identical to the median average over angles for the repulsive part of the potential, but differs in the attractive well. The variational effective spherical potential leads to more accurate thermodynamics than the median, however, particularly in the triple point region.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 4264-4275 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Sets of pressures and their corresponding specific volumes and internal energies are derived from measurements on steadily propagating, planar shock waves propelled by explosively driven metal assemblies into a 1:1 atomic mixture of the elements nitrogen and oxygen in each of two liquid initial states. One of these is the equimolar solution of O2 and N2, at T(approximately-equal-to)85 K, v0(approximately-equal-to)1.06 cm3/g; the other is the pure explosive compound NO, at T(approximately-equal-to)122 K, v0(approximately-equal-to)0.79 cm3/g. Results for this system are calculated with effective spherical potentials and presented graphically for comparison with the measurements. Single- and reflected-shock states are reported, as are incidental new results on pure liquid N2 at 85 K. The method of measurement is described, with reference to its previous applications to liquid O2 and Ar. First-shock pressures from both initial forms lie between 10 and 30 GPa, and the Hugoniots intersect at a common state, near 21 GPa, where a single reflected-shock Hugoniot is centered. Concordant measured state variables at this intersection provide novel confirmation of the expectation, inherently incorporated into theory, that unique equilibrium states are reached. Accounting for densities of these states by theory indicates a significant amount of oxidized nitrogen, in reversible equilibrium with major, but not exclusive, N2 and O2 components. This is treated as residual NO only, although the uncertainty in the potentials for other oxides does not assure their absence.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 5603-5608 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Vibrational spectra of liquid carbon monoxide shock compressed to several high pressure/high temperature states were recorded using single-pulse multiplex coherent anti-Stokes Raman scattering. Vibrational frequencies, third-order suceptibility ratios, and linewidths are reported for the fundamental and first excited-state transition. The observed vibrational frequency shift with shock pressure was substantially less than that observed previously in nitrogen, implying a significant difference in the details of their inter- and intramolecular potentials. The transition intensity and linewidth data suggest that thermal equilibrium of the vibrational levels is attained in less than 10 ns at these shock pressures, and the vibrational temperatures obtained are comparable to calculated equation-of-state temperatures. The measured linewidths suggest that the vibrational dephasing time decreased to ∼2 ps at our highest pressure shock state.
    Type of Medium: Electronic Resource
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