Table 2. SAFT-γ Mie Nonbonded Parameters Obtained in This Study.

bead i	bead j	λr,ij	λa,ij	σij (nm)	ϵij/kB (K)	mass (g/mol)	combining rule
PB	PB	10.0	5.7	0.3583	272.0	27
cisPB	cisPB	8.5	6.5	0.3574	282.3	27
sq	sq	10.2	7.6	0.4006	358.7	35
PB	sq	9.303	6.524	0.3795	301.3	27, 35	k = 0.03088, γ = 0.1122
cisPB	sq	8.208	7.012	0.3790	294.4	27, 35	k = 0.07021, γ = 0.1724