Relation Between Paraffin Isomerisation Capability and Pore Architecture of Large-Pore Bifunctional Zeolites

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

“…460,[505][506][507][508][509][510] This hypothesis implies that these topologies should lower the free energy of formation of these isomers significantly. This hypothesis was evaluated by Maesen et al 511 Surprisingly, the simulations revealed no significant contribution of these zeolites to the free energy of formation.…”

Alkane hydrocracking: shape selectivity or kinetics?

“…The change of selectivity with acid site density and effective crystal size suggested that FAU-type zeolites exhibit a form of mass-transfer shape selectivity in n-heptadecane (n-C 17 ) hydroconversion, preferentially forming and hydrocracking particular alkane isomers at the expense of others [22][23][24]. However, molecular simulations [11][12][13] corroborate experimental data [25] that show no evidence for the preferential formation of particular alkane isomers.…”

“…A reported change in n-alkane hydrocracking shape selectivity of FAU-type zeolites following a decrease in both the acid site density and the effective crystal size [21] as a result of a steaming procedure [22,23] provided the initial motivation for the current study. The change of selectivity with acid site density and effective crystal size suggested that FAU-type zeolites exhibit a form of mass-transfer shape selectivity in n-heptadecane (n-C 17 ) hydroconversion, preferentially forming and hydrocracking particular alkane isomers at the expense of others [22][23][24].…”

Continuous-Flow Hydroisomerization of C5–C7 Alkanes Using Mechanochemically Synthesized Supported Pt and Pd-SBA-15 Materials

“…This process takes place over bifunctional catalysts containing acid (skeletal isomerization via carbenium ions) and metallic sites (hydrogenation/dehydrogenation) [14]. Alkane dehydrogenation takes place over the metal sites generating alkenes which are subsequently protonated on Brönsted acid sites producing alkylcarbenium ions.…”