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. 2014 Sep 12;5:4882. doi: 10.1038/ncomms5882

Figure 1. Conformation of a polymer in mixed cosolvents and system size effect.

Figure 1

Radius of gyration Rg as a function of cosolvent molar concentration xc. The sizes of solvent s and cosolvent c components are chosen as 0.5σ and the interaction well depth between polymer p and c is taken as εpc=1.0ε. (a) shows results for chain length Nl=30. For comparison, we include data from the semi-grand canonical multi-scale simulations with all-atom details17. We also include experimental data obtained from the degree of volume swelling ratio q for PNIPAm6 and PAPOMe18. For representative purposes, the data from the multi-scale simulations and PAPOMe are shifted. The arrows indicate the corresponding y axis. (b) shows Rg/Rg(xc=0) as a function of xc for two different chain lengths Nl. In both parts, the error bars are the s.d. calculated from six independent simulations. The lines are drawn to guide the eye.