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  • 1
    Electronic Resource
    Electronic Resource
    Polar solvent relaxation: The mean spherical approximation approach (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 3783-3788 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The use of the mean spherical approximation (MSA) in the study of dynamics of polar fluids is further explored in two ways. First, the recent result of Wolynes [J. Chem. Phys. 86, 5133 (1987)] showing that solvation dynamics can be extracted from the static solution of the MSA is further investigated. The solvation of a dipole in a dipolar fluid is calculated, and compared with an ion in a dipolar fluid. Both cases reduce to simple numerical quadrature. Second, the Smoluchowski–Vlasov equation (SVE) of Calef and Wolynes [J. Chem. Phys. 78, 4145 (1983)] is also reexamined. Using the analytic MSA results, a new set of relaxation times can be defined. In both sections, structural relaxation occurs with multiple relaxation times.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454901
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  • 2
    Electronic Resource
    Electronic Resource
    Excess electrons in simple fluids. IV. Real time behavior (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 6671-6681 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The polaron theory for an excess electron in liquids due to Chandler et al. [J. Chem. Phys. 81, 1975 (1984)] is extended to the real time domain by the method of analytic continuation. For the case of an adiabatic solvent, the theory predicts that the electron momentum correlations relax nonexponentially in time, and that this long time tail contributes to a diminuation of the electron mobility. However, for short ranged forces, a mean-field approximation employed in this application of the polaron theory leads to a decay that is one power of t−1 higher than the generally accepted result for the quantum Lorenz gas. Along with this analytical analysis, we present numerical solutions of the analytically continued equations for the case of an adiabatic hard sphere solvent. We find that at low solvent densities, the electronic states are relatively diffuse, and the absorption spectra is maximum at the zero frequency diffusive mode. In this density regime, the electron mobility is a decreasing function of temperature. At higher densities, the electron mobility drops precipitously and the spectra has its maxima at a nonzero frequency. Here, the mobility is an increasing function of temperature. Corresponding behaviors of the electron mean-square displacement correlation function are discussed. The high density behaviors are the dynamical consequences of ground state dominance or self-trapping where diffusion requires excitation to high energy extended states. These results augment our earlier work on the equilibrium or thermodynamic consequences of this theory.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453403
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  • 3
    Electronic Resource
    Electronic Resource
    Excess electrons in simple fluids. III. Role of solvent polarization (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 398-403 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have extended the RISM-polaron theory of excess solvated electrons to treat the effects of quantum mechanical charge density fluctuations in the solvent particles. Our numerical results examine a model in which the solvent is composed of hard spheres with internal Drude oscillators. By varying the fundamental Drude oscillator frequency, one may explore the role of solvent polarization as it depends upon the time scale of the dipolar motions. We describe general trends predicted by the theory for this model, and we discuss the sensitivity of our results to changes in the model characterizing the interactions between the electrons and the solvent molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450151
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  • 4
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    Coalitions and Learning: Applications to a Simple Game in the Triad (1977)
    Baltimore, Md. : Periodicals Archive Online (PAO)
    Behavioral science. 22:6 (1977:Nov.) 391 
    Details
    ISSN: 0005-7940
    Topics: Psychology
    URL: http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&res_dat=xri:pao:&rft_dat=xri:pao:article:5019-1977-022-06-000003
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  • 5
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    Government Comes to the Workplace: An Assessment of OSHA (1977)
    New York : Periodicals Archive Online (PAO)
    The Public interest. 49 (1977:Fall) 39 
    Details
    ISSN: 0033-3557
    Topics: Political Science
    Notes: About Regulation
    URL: http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&res_dat=xri:pao:&rft_dat=xri:pao:article:g035-1977-000-49-000003
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  • 6
    Electronic Resource
    Electronic Resource
    The thermal stability of the polymorphs of hexanitrohexaazaisowurtzitane, Part I (1994)
    Weinheim : Wiley-Blackwell
    Propellants, Explosives, Pyrotechnics 19 (1994), S. 19-25 
    Details
    ISSN: 0721-3115
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Phase transitions in the α-, β-, γ-, and ∊-polymorphs of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (HNIW) have been studied as a function of temperature. Described are the results of high temperature equilibrium solvation studies coupled with Fourier transform infrared spectroscopy (FTIR) for the identification of polymorphic conversion. These results are augmented by data in Part II from differential scanning calorimetry (DSC), differential thermal analysis/thermogravimetric analysis (DTA/TGA), and optical hot stage microscopy(6). The thermodynamic stability order of ∊ 〉 γ 〉 α-hydrate 〉 β is shown, with the epsilon polymorph the most thermodynamically stable phase of HNTW at room temperature. The existence of multiple α-hydrate phases is shown to complicate the determination of the equilibrium P-T phase diagram of HNIW.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prep.19940190105
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  • 7
    Electronic Resource
    Electronic Resource
    Reactions of TATB-Based Explosive with Molten Metal (1995)
    Weinheim : Wiley-Blackwell
    Propellants, Explosives, Pyrotechnics 20 (1995), S. 287-293 
    Details
    ISSN: 0721-3115
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The reactions of combustion products (CO, H2O) from the insensitive high explosive LX-17 (92.5 wt% 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), 7.5 wt% Kel-F 800 binder) with molten metal (75 a%Nd, 25 a% Fe) were studied, to determine their contribution to the energy release rate of deflagrating LX-17, Kinetic data taken with gas mixtures of CO and H2O, and larger-scale tests with LX-17, showed that the reactions were slow and incomplete and that there was no significant contribution to the energy release rate. From the tests with JX-17, the effective flame temperature and burn velocity were dependent on confinement of gas products. LX-17 preheated to 500 K - 510 K showed effective flame temperatures of 1100 K - 1400 K and burn rates of 0.08-0.11 mm/s, depending on the extent of gas confinement by the molten metal.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prep.19950200602
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  • 8
    Electronic Resource
    Electronic Resource
    The thermal stability of the polymorphs of hexanitrohexaazaisowurtzitane, part II (1994)
    Weinheim : Wiley-Blackwell
    Propellants, Explosives, Pyrotechnics 19 (1994), S. 133-144 
    Details
    ISSN: 0721-3115
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Solid-solid phase transitions in the α-, β-, γ-, and ∊-polymorphs of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (HNIW) have been studied as a function of temperature. Techniques employed include differential scanning calorimetry (DSC), differential thermal analysis/thermogravimetric analysis (DTA/TGA), and hot stage microscope analysis. Fourier transform infrared spectroscopy (FTIR) was used to identify results of polymorphic conversion. Results corroborate those(2) of Part I that the existence of multiple α-hydrate phases complicates definition of the HNIW P-T phase diagram. A high temperature endothermic DSC response was determined by FTIR spectroscopy to be the β → γ transition, not a conversion to a new high temperature “delta” phase. The role of water in the shifting this conversion to higher temperature is discussed.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prep.19940190305
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