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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 6986-6988 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present microscopic equations for the rigidity constants of a simple liquid–vapor interface. These expressions are analogous to the Kirkwood–Buff formula for the surface tension. The rigidity constants are calculated using an approximate expression for the density auto correlation function in the interface near the critical point. This results in k=0.631 kBTc and k=0.239 kBTc.
    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 97 (1992), S. 3576-3586 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper we show how the use of the Irving–Kirkwood expression for the pressure tensor leads to expressions for the pressure difference, the surface tension of the flat interface, and the Tolman length which agree with the expressions found using microscopic sum rules. The use of the Schofield–Henderson expression for the pressure tensor for a particular contour different from the contour that leads to the Irving–Kirkwood expression is found to give incorrect results for the pressure difference and, in particular, also for the Tolman length. The distance between the so-called mechanical surface of tension and the Gibbs dividing surface is found not to be given by Tolman's length. Using an approximate expression for the pair density it is possible to find values for the location of the mechanical surface of tension and for Tolman's length which are in reasonably good agreement with values found by Nijmeijer et al. in molecular dynamics simulations.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 6023-6030 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We investigate the apparent contradiction between the pressure expressions, or "mechanical expressions," and the van der Waals squared-gradient expressions for the curvature coefficients k/R0, k, and k¯. We show that, in the context of the mean-field theory discussed, both types of expression are indeed equivalent, with the differences only being caused by the thermodynamic conditions used to vary the curvature. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 7062-7074 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: To study the vesicle-substrate unbinding transition and the onset of microemulsion aggregation, we calculate the curvature free energy of a vesicle adhered to a substrate and of two microemulsion droplets forming a dimer. Analytical expressions are derived in the small bending rigidity regime in which the length (k/σ)1/2, constructed from the rigidity constant of bending k and surface tension σ, is small compared to the typical size of the vesicle (droplet), (k/σ)1/2(very-much-less-than)R. The leading contribution to the curvature free energy is shown to be proportional to k1/2. The formulas derived are used to understand the experimentally observed aggregation of microemulsion droplets occurring in the direction of vanishing spontaneous curvature. In this way we intend to bridge the gap between the liquid state theories used to describe aggregation processes in microemulsion systems and the bending energy concept originally introduced by Helfrich to describe vesicles shapes and fluctuations as well as phase diagrams of microemulsion systems. © 1999 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 115 (2001), S. 1073-1085 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The sphere to cylinder transition in a one-phase droplet microemulsion system is studied theoretically. Within the framework of the curvature energy model by Helfrich, it was already shown by Safran et al. [J. Phys. (France) Lett. 45, L-69 (1984)] that for a certain range of the curvature parameters (rigidity constants and spontaneous curvature), a transition occurs from spherical droplets to infinitely long cylinders through a region where both spheres and cylinders are present. Our aim is to further investigate this region in a quantitative way by including—in addition to curvature energy—translation entropy, cylinder length polydispersity, and radial polydispersity. In this way we are able to obtain structural information on the spheres and cylinders formed, their respective volume fractions, and polydispersity, and provide a more detailed comparison with experimental results. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
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