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  • 1
    Electronic Resource
    Electronic Resource
    Structure of the hard ellipsoid fluid (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 3048-3057 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Molecular-dynamics calculations are reported on fluids of hard ellipsoids over a range of densities and for several ellipsoidal aspect ratios. The pair correlation functions obtained from the simulations are expressed as functions of the minimum surface-to-surface separation, s, measured along the surface normal, sˆ, and angles measured relative to the surface normal. Both isotropic and orientational correlations exhibit simpler behavior in the surface-to-surface than in the more customary center-to-center coordinate representation. For the hard-ellipsoid fluid, the isotropic part of the pair correlation function, giso(s), behaves much like that of a hard-sphere fluid. The surface-to-surface coordinates are well suited for studying pressure and collision rates because these properties depend upon surface contact distributions. They are also useful for studying the orientational order parameter, g2, because they enable one to readily identify a long-range part and geometrical excluded volume contribution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457902
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  • 2
    Electronic Resource
    Electronic Resource
    Dynamics in Polyatomic Fluids: A Kinetic Theory Approach (1986)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Physical Chemistry 37 (1986), S. 105-125 
    Details
    ISSN: 0066-426X
    Source: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1146/annurev.pc.37.100186.000541
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  • 3
    Electronic Resource
    Electronic Resource
    Dissipative particle dynamics: Transport coefficients (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 1338-1342 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The self-diffusion coefficient and the shear viscosity are calculated for a system evolving under dissipative particle dynamics in two and three dimensions. The self-diffusion coefficient agrees with that Marsh et al. although the shear viscosity has corrections absent in previous theories. These corrections arise from a subtle combination of convective and dissipative effects. When the present theory is compared with computer simulations of two dimensional fluids, it appears that the present work portrays albeit qualitatively the deviation of the dissipative and kinetic parts of the shear viscosity from the low friction limits depicted in the Marsh et al. work. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478010
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  • 4
    Electronic Resource
    Electronic Resource
    Shear-induced dimerization (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 7472-7476 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Yamada–Kawasaki theory of nonlinear response was applied to the calculation of the frequency and shear-rate dependent shear viscosity of a dilute Brownian suspension of harmonically bound dumbbells. When the dumbbells were allowed to dimerize, as implemented by the Wertheim theory of association, the resulting fluid displayed exhibited shear-thinning and shear-thickening regimes. Head-to-head dimerization led to shear thinning, and for shear thickening to occur, the rotational correlation time of the dimers must be commensurate with those of the monomers. The present findings were evaluated in light of the observed shear-induced coagulation in micellar solutions. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.474986
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  • 5
    Electronic Resource
    Electronic Resource
    Chemical association of spherical particles (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 9718-9726 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Aggregation equilibria of dilute fluids of spherical classical particles are considered using a formalism derived by Lockett and Wertheim. The present theory is a simple application of the Lockett–Wertheim theory, and uses a set of ring, chain, and star Mayer graphs in the grand canonical ensemble partition function. This analysis is applied to a fluid of hard spheres with a thin exterior square well. Calculated here are the equilibrium constants for n-mer association, the n-mer distribution, and the fluid pressure. The shape of the n-mer aggregates is inferred from their individual structure factors. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473834
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  • 6
    Electronic Resource
    Electronic Resource
    The nematic transition of bendable ellipsoids (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 6654-6658 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The transition from the isotropic to nematic phase is investigated for a fluid comprised of bendable ellipsoids. When the bending amplitude is chosen such that the bodies remain convex, density functional-Onsager methods can be employed to estimate the phase transition properties. The convexity requirement places a restriction on the size of the effects; however, a trend is discernible. As the density of the fluid increases, in both the isotropic and nematic phases, the mean bending amplitude is suppressed. Furthermore, the density of the isotropic to nematic transition increases with the bending amplitude in accord with the predictions of the Khokhlov–Semenov theory. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471384
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  • 7
    Electronic Resource
    Electronic Resource
    Molecular self assembly of rodlike particles: An application to collagen (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 2519-2527 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simplified form of the Wertheim theory of chemical association has been used to address how ellipsoidal particles with three highly localized interaction sites (head, tail, side) polymerize to form aggregates. Aggregation is allowed for heads with tails subject to an energy parameter, εa, and for heads or tails with the side spot subject to a different energy parameter, εc. No side-by-side interactions are allowed. As εc/εa→0, the aggregate becomes rodlike, whereas as εc/εa→∞, the object becomes a freely rotating chain or a herringbone pattern. When the present theory is applied to self assembly of type I collagen, it is found that each εc and εa correspond to the anchoring caused by two H bonds. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476824
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  • 8
    Electronic Resource
    Electronic Resource
    Shear thinning vs shear thickening in associating fluids (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 108 (1998), S. 1570-1577 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: When one-bond Frenkel dumbbells are allowed to dimerize, as analyzed using the Wertheim theory of association, the resulting fluid exhibits shear thinning or shear thickening behaviors. In contrast, when Gaussian chains undergo shear-assisted association, only shear thickening is possible. The present theory of shear-induced association of non-Newtonian fluids is applied to interpret the shear thickening seen in equimolar solutions of the CTAB (cetyl trimethyl ammonium bromide) micelles and sodium salicylate. Also derived in this study are the frequency dependent Newtonian viscosity and the non-Newtonian viscosity for a dilute Brownian suspension of two-bond freely jointed Frenkel dumbbells. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.475528
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  • 9
    Electronic Resource
    Electronic Resource
    On the formation of rotationally hot H2+. by dissociation of CH42+ dications (1991)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 5 (1991), S. 557-564 
    Details
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: Dissociation of CH42+ into CH2+· ion pairs results in formation of H2+· ions possessing a degree of rotational excitation which is high enough to enable formation of several rotational resonance states. These resonances give rise to unimolecular dissociation into H+ + H· fragments. Ion translational energy spectrometry has been applied to measure such dissociation spectra, and a number of rotational resonances are observed. Rotational resonances are not observed when H2+· ions are generated from H2 precursors. Two models based upon ideas of impulsive energy release are investigated which attempt to correlate the centre-of-mass kinetic energy released upon dissociation of CH42+ with the observation of the rotational resonances. There is good accord between the experimental results and the prediction of our models.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/rcm.1290051113
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  • 10
    Electronic Resource
    Electronic Resource
    Modified Zimm-Crothers rotating-cylinder viscometer (1968)
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-2: Polymer Physics 6 (1968), S. 1555-1560 
    Details
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1968.160060812
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