Table 1.

Functional Forms of CG Model Cohesive Interactions and Fitting Parameters Used in NEMD Studies of PB and PS

Function	Polybutadiene Parameters	Polystyrene Parameters
$\alpha (T,f)=\frac{{\alpha }_A-{\alpha }_g}{1+\exp \left[-k\left(T-T_T(f)\right)\right]}+{\alpha }_8$	αA = 0.7866	αA = 3.232
	αg = 1.509	αg = 3.923
	k = 0.0343 K−1	k = 0.03167 K−1
$f=f_0\exp \left(-\frac{\Delta H_a\left(K{T}_A\right)}{k_{\text{B}}{T}_T(f)}\right)$	f0 = 4.13 × 1016 Hz	f 0 = 4.13 × 1016 Hz
	ΔHa = 18.61 kJ/mol	ΔHa = 61.27 kJ/mol
	TA = 281.0 K	TA = 549.0 K
	K = 0.1838	K = 0.2874