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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C10E4/water mixture with lamellar bilayer formation

Fig. 5

Final particle/molecule distributions for different volume-scaled mass fractions (upper left corner) of C10E4 at 298 K (with C10E4 fragmentation scheme A, S1MVV integration, integration time step 0.04, snapshot of last simulation step 500,000 which corresponds to 30 microseconds) with particle colors: Me: Olive, Me2O: Orange, MeOH: Red, H2O: Cyan. Lower right corner: Change of DPD surface tension in z-direction (perpendicular to the C10E4 bilayers) during simulation from random start geometry where “−”: No change, “+”: Positive rise smaller 6 DPD units, “+ +”: Positive rise larger 7 DPD units

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