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A model for industrial top-fired dry reforming of methane (DRM) and for combined dry reforming and steam reforming of methane was developed for the first time. The model calculates and gives predictions on the temperature profiles for fuel gas, tube walls, and process gas, as well as the process gas composition profiles over the length of the tubes. Radiative heat transfer is modeled by Hottel Zone method. Material and energy balances are solved numerically using Newton-Raphson solver. Kinetic models for two different DRM catalysts are applied in the model for comparison. Simulation results show that water-gas shift reaction is important in DRM and addition of steam in the feed of process gas is beneficial for industrial production. © 2016 American Institute of Chemical Engineers AIChE J, 63: 2060-2071, 2017 [ABSTRACT FROM AUTHOR]

A mathematical model is developed for estimating kinetic parameters that influence the production of arborescent polyisobutylene via carbocationic copolymerization of inimer (IM) and isobutylene. Six different propagation rate constants arise due to the two types of vinyl groups and three types of carbocations. These six parameters are estimated using parallel simulation systems in PREDICI that track (1) functional groups, (2) internal and dangling segments in the polymer, and (3) concentrations of IM and polymer molecules. Parameter estimates obtained using the proposed model result in a better fit to literature data than was obtained using a previous model that neglected two types of propagations reactions. Predictions from the proposed model are consistent with Monte Carlo simulations for molecular weight distribution of the internal and dangling segments. © 2014 American Institute of Chemical Engineers AIChE J, 61: 253-265, 2015 [ABSTRACT FROM AUTHOR]