Fig. 7 shows intermolecular PCF of system, the red line is PCF between pure
PVA molecules, the green line is PCF between pure PAA molecules,
and the black line represents PCF between PVA and PAA Obviously, intermolecular g(r) decreases in the order of PVA–PVA > PVA–PAA N > PAA–PAA at the distance shorter than 0.8 nm, indicating
that the interaction force of PVA–PVA is stronger than PVA–PAA and
PAA–PAA. This results is same with the binding energy above, and further
verify the correctness of simulation model and method.
In general, intermolecular interaction is distributed into hydrogen
bond and van der Waals. The peak value lower than 0.35 nm is mainly
composed of chemical bond and hydrogen bond, and the value higher
than 0.35 nm is mainly conducted by van der Waals result [40]. Thereby,
from Fig. 7, we can know that the main interaction force of blend system
is van der Waals. Besides, there are also many hydrogen bond interactions
existing between polymer molecules