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. 2021 Dec 4;23(1):349–364. doi: 10.1021/acs.biomac.1c01301

Table 1. Input Parameters Used in Our Study.

NA 500 ΔHAA (kJ/mol)a 22.86
NB 250 ΔSAA (J/(mol K))b 113.1
NS 1 ΔHBB (kJ/mol) 0
lA 10 ΔSBB (J/(mol K)) 0.8314
lB 15 ΔHAB (kJ/mol) 5.737
χAB(0) 0 ΔSAB (J/(mol K)) 52.38–64.02
χAS(0) 0.3; 0.55 T (K) 300
χBS(0) 0.25–0.58    
a

ΔHij = NAvΔhij.

b

ΔSij = NAvΔsij; NAv = Avogadro’s number.