Table 1.
water models | S[t1,t2] | S[t1,χ1] | S[t1,χ2] | S[χ1,χ2] | S[t1] | S[χ1] | |
---|---|---|---|---|---|---|---|
Shell1 | TIP4P | −1.33 | −1.21 | −1.15 | −1.02 | −0.34 | −0.29 |
SPC | −1.67 | −1.28 | −1.24 | −0.89 | −0.50 | −0.27 | |
TIP3P | −1.65 | −1.16 | −1.14 | −0.74 | −0.47 | −0.23 | |
SPC/E | −1.70 | −1.32 | −1.29 | −0.94 | −0.51 | −0.29 | |
TIP4P-Ew | −1.44 | −1.29 | −1.23 | −1.05 | −0.39 | −0.30 | |
Shell2 | TIP4P | −0.59 | −0.44 | −0.46 | −0.38 | −0.10 | −0.10 |
SPC | −0.69 | −0.42 | −0.46 | −0.30 | −0.11 | −0.09 | |
TIP3P | −0.60 | −0.29 | −0.34 | −0.18 | −0.09 | −0.06 | |
SPC/E | −0.71 | −0.46 | −0.50 | −0.33 | −0.13 | −0.10 | |
TIP4P-Ew | −0.68 | −0.51 | −0.53 | −0.38 | −0.12 | −0.12 | |
Shell3 | TIP4P | −0.010 | −0.007 | −0.002 | −0.003 | −0.001 | −0.000 |
SPC | −0.014 | −0.007 | −0.005 | −0.001 | −0.002 | −0.000 | |
TIP3P | −0.015 | −0.003 | −0.003 | −0.001 | −0.002 | −0.000 | |
SPC/E | −0.013 | −0.007 | −0.005 | −0.003 | −0.001 | −0.000 | |
TIP4P-Ew | −0.012 | −0.007 | −0.004 | −0.001 | −0.001 | −0.000 |
Note: , all these entropies are unitless.