Figure 5: PMFs between NiPPA molecules at temperatures between 280 K and 360 K: | Scientific Reports

Figure 5: PMFs between NiPPA molecules at temperatures between 280 K and 360 K:

From: Liquid–liquid phase separation of N-isopropylpropionamide aqueous solutions above the lower critical solution temperature

Figure 5

(a) PMFs for NiPPA molecules in water, w(r)/kBT, and the typical configurations of a pair of NiPPA molecules (b) at the contact (rc ≡ 0.53 nm) and (c) at the partial-contact distances (rpc ≡ 0.64 nm), as obtained from the samplings at 280 K (Water molecules within 5 Å from any atom of NiPPA molecules and their hydrogen bond networks are represented by light green lines); the decomposition of w(r)/kBT into (d) the nonpolar contribution, w°(r)/kBT, and (e) the Coulombic contribution, wc(r)/kBT; the decomposition of w(r)/kBT into (f) the direct interaction, u(r)/kBT, and (g) the water-mediated interaction, δw(r)/kBT; and the decomposition of w°(r)/kBT into (h) u°(r)/kBT and (i) δw°(r)/kBT. The same color is used for the same temperature in panels (a,d–i). Blue or red arrows represent the association or the dissociation behavior of the decomposed factors and the vertical dashed lines indicate the contact distance rc.

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