Catalytic cracking of alkylbenzenes: Modeling the reaction pathways and mechanisms

Transalkylation of ethyl benzene with triethylbenzene over ZSM-5 zeolite catalyst

“…The behavior of 1,3,5-TEB can be explained in terms of the production of DEBs. As for pure 1,3,5-TEB, cracking reaction leads to a mixture of DEBs [26,30,31] while DEBs are produced by disproportionation reaction of EB or by transalkylation from the mixture of EB and TEB. Therefore, the increase in the rate of the cracking reaction at higher temperatures causes a relative decrease in the rate of disproportionation and transalkylation.…”

“…The gases are produced during cracking reaction. Generally, the rate of cracking reaction increases with increasing reaction temperature [26,30,31].…”

Use of Buckingham potentials in engineering approximations for chemical kinetics

“…As a result, these correlations have limited utility. Another approach, suggested by Klein and coworkers ŽBoock and Klein, 1993;Fake et al, 1994;Watson et al, 1997; In this article, an attempt is made to develop some better models for chemical kinetics that can be more reliably extrapolated to a wide data set. Our approach will be to consider the 30 reactions in Table 2 and use ab-initio quantum mechanical methods to examine the key interactions.…”

“…In the recent literature, Klein and coworkers Boock and Klein, 1993;Fake et al, 1994;Watson et al, 1997;Watson . Ž andKlein, 1997 , Broadbelt andcoworkers Broadbelt et al, .…”

Estimating thermochemical properties of hydroprocessing reactions by molecular simulation and group contribution methods

“…However, comparatively, little published work is available to understand the thermochemistry of the process for the purpose of producing more middle distillates (more liquid products). No really new technology for the processing of residues has emerged during the last few years [8], although several lumping methods for describing process kinetics seems to achieve some success in understanding hydrocracking in industrial scale [9][10][11][12].…”