Fig. 5: Molecular dynamic simulations. | Nature Communications

Fig. 5: Molecular dynamic simulations.

From: A core–shell fiber moisture-driven electric generator enabled by synergetic complex coacervation and built-in potential

Fig. 5

a, b Surface electrostatic potential distributions of NaAlg and PDDA monomers. c, d Molecular structures of pure NaAlg, pure PDDA, and PDDA/NaAlg complex (blue chains represent NaAlg and cyan chains represent PDDA). Equilibrium structures of PDDA/NaAlg system (e) and pure NaAlg (f). g Simulated pore size distributions in the equilibrium structures shown in (e) and (f). h, i Visualization of free volume in the PDDA/NaAlg and pure NaAlg systems (blue and gray zones represent the pore and polymer chain domains, respectively). Free volume fractions (j) and mean square displacements (k) of the PDDA/NaAlg and pure NaAlg systems.

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