Wh. Jo et Mb. Ko, EFFECT OF REACTIVITY ON CURE AND PHASE-SEPARATION BEHAVIOR IN EPOXY-RESIN MODIFIED WITH THERMOPLASTIC POLYMER - A MONTE-CARLO SIMULATION APPROACH, Macromolecules, 27(26), 1994, pp. 7815-7824
Structure development during the cure of epoxy resin modified with rub
ber or thermoplastic polymer was investigated by a Monte Carlo simulat
ion technique. The lattice model of bond-fluctuation algorithm propose
d by Carmesin and Kremer was modified to be applied to the crosslinkin
g reaction between epoxy resin and curing agent. The entropy driven ph
ase separation behavior was monitored by a quantity of collective stru
cture factor and was analyzed by the Flory-Huggins theory. Even though
the phase separation behavior near the critical composition of the mi
xture shows the spinodal decomposition irrespective of the cure rate,
the phase separation mechanism at the off-critical composition is chan
ged with the cure rate. The cure behavior seems to follow a second ord
er reaction kinetics. As the volume fraction of added thermoplastic po
lymer increases, the apparent kinetic rate constant decreases at the s
ame reactivity. This can be interpreted as a diluent effect of the add
ed thermoplastic polymer on the cure kinetics. Also, the gelation beha
vior was compared with the Flory-Stockmayer branching theory.