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. 2016 Apr 11;18(16):11042–11057. doi: 10.1039/c6cp00075d

Fig. 3. Glycerol conformations in the BC+TIP4P/2005 model mixture during cooling at P = 0.1 MPa with cooling rate q c = 1 K ns–1. Concentrations are (a) χ g = 3.06% and (b) χ g = 7.01%. (c) The same as (a) for the case of the R+TIP4P/2005 mixture model. In all cases, no changes in glycerol conformations occur at approximately T ≤ 140 K where the system is in the glassy state [see also Fig. 1]. Interestingly, the conformations of glycerol are different in the BC+TIP4P/2005 and R+TIP4P/2005 model mixtures.

Fig. 3