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Fig. 16


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Two-dimensional image derived from Monte-Carlo-like simulation dependent on the initial packing parameter and the volume fraction of aggregated extractant. Calculations were carried out at x = [U]/[Ex] = 0.35 and the bending constant was set to κ* = 2 kBT/extractant. Below, the simulation was carried out in two different ways to point out the Onsager transition. Mode 2 describes the general procedure used in simulations above, where the total mismatch of the system is minimized. Minimization by Mode 1 minimizes the number of mismatches, in order to point out the regions of strong mismatch free energy.

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