The synthesis and identification of half-titanocenes containing an aryloxide ligand supported at the chain end (surface) of soluble star-shaped polymers, by adopting sequential one-pot living ring-opening metathesis polymerizations (ROMP) of norbornene (NBE) and a cross-linking reagent using a molybdenum alkylidene catalyst, have been explored. The Ti Kedge XANES spectra (in toluene at 25 °C) indicate that the basic geometry and electronic nature of the original complex, Cp*TiMe 2 (O-i Pr 2 C 6 H 3 ) (1), were preserved in the supported catalyst on the star-shaped ROMP polymers. The supported catalyst showed high catalytic activities for ethylene polymerization, which are lower than that by 1 but higher than that by the supported catalyst at the linear ROMP polymer chain end; efficient 1-hexene incorporation in the ethylene/1-hexene copolymerization has also been demonstrated in this star-shaped supported catalyst.

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A kinetic Monte-Carlo model was developed in order to simulate the methane steam reforming and kinetic behavior of this reaction. There were 34 elementary step reactions that were used, based on the Langmuir–Hinshelwood mechanism, over a nickel catalyst. The simulation was investigated at a mole fraction of methane between 0.1 and 0.9, temperature of 600 to 1123 K, and total pressure of up to 40 bar. The simulated results were collected at a steady state and were compared with the previously reported experiments. The fractional coverages of the adsorbed species and the production rates of H2, CO, and CO2 were evaluated, and the effects of the reaction temperature, feed concentration, and total pressure of reactants were also investigated. The simulation results showed a similar trend with previous experimental results, and suggested the appropriate conditions for this reaction, which were a total pressure of 10 bar, with the mole fraction of methane in a range of 0.4–0.5.

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