Figure 3 Molecular structure of Butadiene R-1.
As seen in the literature, it is known that polybutadiene has
essentially linear structure and high cis content (greater than 90%)
when the used catalyst is based on titanium . Therefore, it was decided
to disregard the trans monomer during the simulation. The kinetic
mechanism considers the following steps described in Equations (3) to
(5).
Initiation step