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A visualized analysis of small-angle neutron scattering intensity: Concentration fluctuation in alcohol-water mixtures

Journal of Applied Crystallography (2007) 40(SUPPL. 1)
DOI: 10.1107/S0021889807001549
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Abstract

Small-angle neutron scattering measurements have been performed on tert-butyl alcohol-water mixtures with alcohol concentrations from 0.05 to 0.30 mole fractions at 298, 313 and 328 K. Concentration fluctuations of the mixtures are analysed in terms of fractals. The structure of the concentration fluctuation is visualized by means of a large-scale reverse Monte Carlo technique. Percolation analysis of the visualized structure shows that the concentration fluctuation is characterized by polydisperse mass fractals, as found for 1-propanol-water mixtures. It seems that polydisperse mass fractals are a common structural characteristic in various alcohol-water mixtures. © International Union of Crystallography 2007.

Figures

  • Figure 2 Concentration fluctuation Scc(0) of tert-butyl alcohol–water mixtures versus mole fraction x of tert-butyl alcohol. Values of Scc(0) measured by X-ray scattering at 301 K are also plotted (Nishikawa et al., 1989).
  • Figure 3 (a) Fractal dimension df and (b) persistence length analysed by a fractal model versus mole fraction x of tert-butyl alcohol: solid circles are values at 298 K, open circles are values at 313 K, and crosses are values at 328 K.
  • Figure 1 Small-angle neutron scattering intensities I(Q) for tert-butyl alcohol–water mixtures of alcohol concentration x from 0.05 to 0.30 mole fractions measured at 298 K. The intensity for the mixture with x = 0.14 measured at 328 K is also shown for comparison (the highest curve).
  • Figure 4 A comparison of I(Q) values from RMC analysis (line) with experimental values (points) for the mixture with x = 0.14 at 298 K.
  • Figure 6 Percolation analysis of clustering in the mixture with x = 0.14 at 298 K based on the visualized structure. (a) Cluster-size distribution (n) of clusters of A units of size n (circles) and the power-law relation n with = 1.36 (line). (b) Number of A units inside a sphere of radius r drawn around a cluster, M(r), calculated for the three larger clusters (points) and the mass-fractal relation rdM , with dM = 2.31 (line).
  • Figure 5 Visualization of two-dimensional distributions of A units (solid circles) and W units (bars) for the mixture with x = 0.14 at 298 K.
  • Figure 7 Concentration dependence of dM (upper two curves) and (lower two curves) obtained for mixtures at 298 K. Plus marks denote values for W units and open circles denote values for A units.
  • Figure 8 Comparison of df values calculated using equation (6) with experimental values for mixtures at 298 K. Solid circles are experimental values, plus marks are calculated values for W units and open circles are calculated values for A units.

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APA

Misawa, M., Sato, T., Onozuka, A., Maruyama, K., Mori, K., Suzuki, S., & Otomo, T. (2007). A visualized analysis of small-angle neutron scattering intensity: Concentration fluctuation in alcohol-water mixtures. In Journal of Applied Crystallography (Vol. 40). https://doi.org/10.1107/S0021889807001549

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