Cyclopentadiene Dimerization Kinetics in the Presence
of C5 Alkenes and Alkadienes
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Posted on 2019-10-25 - 18:07
This
work describes an experimental kinetic study and the development
of a kinetic model for the dimerization of cyclopentadiene (CPD) to
dicyclopentadiene (DCPD) in multicomponent reaction mixtures at temperatures
ranging from 80 to 160 °C. The reaction mixtures consist of CPD
and other reactive C5 compounds, including isoprene, trans-1,3-pentadiene,
1-pentene, cis-2-pentene, and trans-2-pentene, which are normally
present in the CPD stream derived from steam cracking of naphtha.
Reaction rate constants for (a) dimerization of CPD to form exo- and
endo-DCPD, (b) the codimerization of CPD with the other reactive components,
and the homodimerization of each of the reactive components are presented
along with the corresponding activation energies and pre-exponential
factors. By including the retro Diels–Alder reaction of endo-DCPD
and the formation of CPD trimers, our kinetic model accurately predicts
concentrations of CPD, endo-DCPD, exo-DCPD, and codimers with respect
to time. The model identifies CPD self-dimerization as the dominant
reaction occurring in the multicomponent mixture, followed by the
codimerization between cyclopentadiene and isoprene. At 120 °C,
codimerization reactivity with CPD was found in the following order:
1-pentene > cis-2-pentene > 2-methyl-1-butene > cyclopentene
> 2-methyl-2-butene >
trans-2-pentene, with reaction rate constants 1 to 2 orders of magnitude
lower than that of exo-DCPD formation. Overall, the model established
herein allows an accurate prediction of the DCPD purity that can be
obtained from a petroleum pyrolysis stream no matter what the impurity
concentrations may be.
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Xu, Rui; Jocz, Jennifer N.; Wiest, Lisa K.; Sarngadharan, Sarath C.; Milina, Maria; Coleman, John S.; et al. (2019). Cyclopentadiene Dimerization Kinetics in the Presence
of C5 Alkenes and Alkadienes. ACS Publications. Collection. https://doi.org/10.1021/acs.iecr.9b04018