Skip to main content
. 2021 Feb 24;13(5):678. doi: 10.3390/polym13050678
lnγi=lnγic+lnγiR (A1)
Combinatorial lnγic=1Vi+lnVi5 qi(1ViFi+lnViFi) (A2)
Residual
Γk(i): residual activity coefficient of group k in a reference solution containing molecules of type i
lnγiR=kvk(i)[lnΓKlnΓK(i)] (A3)
Γk: group residual activity coefficient lnΓk=Qk[1ln(m(ΘmΨmk))mΘmΨkmnΘnΨnm] (A4)
Surface area/mole fraction ratio Fi=qijqjxj (A5)
Volume/mole fraction ratio Vi=rijrjxj (A6)
Vi=ri3/4jrj3/4xj (A7)
Volume of the pure component (i) ri=kvk(i)Rk (A8)
Surface area of the pure component (i) qi=kvk(i)Qk (A9)
Area fraction of group (m) Θm=QmXmnQnXn  (A10)
Mole fraction of group m in the mixture Xm=jvm(i)xjjnvn(i)xj  (A11)
Group interaction parameter  Ψmn=exp(amn+bmnT+cmnT2T) (A12)