The "classical" thermodynamic and statistical mechanical theories of Gibbs and Boltzmann are both predicated on axiomatic assumptions whose applicability is hard to ascertain. Theoretical objections and an increasing number of observed deviations from these theories have led to sustained efforts to develop an improved mathematical and physical foundation for them, and the search for appropriate extensions that are generally applicable to condensed materials at low temperatures () and high material densities where the assumptions of these theories start to become particularly questionable. These theoretical efforts have largely focused on minimal models of condensed material systems, such as the Fermi-Ulam-Pasta-Tsingou model, and other simplified models of condensed materials that are amenable to numerical and analytic treatments and that can serve to illuminate essential features of relaxation processes in condensed materials under conditions approaching integrable dynamics where clear departures from classical thermodynamics and dynamics can be generally expected.
View Article and Find Full Text PDFWe assess the validity of a range of models of glass formation based on molecular dynamics simulation results of the Kob-Andersen (KA) model system under a wide range of constant volume and constant pressure conditions. These models include the Adam-Gibbs model emphasizing configurational entropy, the string model emphasizing collective particle exchange motion, the shoving model emphasizing material elasticity, the localization model emphasizing dynamical free volume, and parabolic models based on the ideas of dynamic facilitation and, alternatively, the hypothesis that glass formation involves an avoided critical point. We demonstrate that these seemingly disparate models all provide a reasonable description of structural relaxation and diffusion data for the KA model system under all simulation conditions considered.
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November 2013
Genistin, genistein, kaempferol, quercetin and rutin, five kinds of flavonoids in Fructus sophorae, have been analyzed by capillary zone electrophoresis with internal standard calibration. Buffer pH and concentration, applied voltage, β-cyclodextrin and ethanol concentration were optimized and the optimum conditions are: 20 mmol/L borax (pH 9.5) with 8 mmol/L β-cyclodextrin and 5% (v/v) ethanol and at a voltage of 25 kV.
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