Molecular views on mechanisms of Brønsted acid-catalyzed reactions in zeolites
C Chizallet, C Bouchy, K Larmier… - Chemical …, 2023 - ACS Publications
The Brønsted acidity of proton-exchanged zeolites has historically led to the most impactful
applications of these materials in heterogeneous catalysis, mainly in the fields of …
applications of these materials in heterogeneous catalysis, mainly in the fields of …
Role of Brønsted acid site during catalytic combustion of methane over PdO/ZSM-5: Dominant or negligible?
Abstract ZSM-5 zeolites (NaZSM-5, HZSM-5 and Silicalite-1) with different acid nature were
synthesized and used as supports of Pd catalysts for catalytic combustion of methane …
synthesized and used as supports of Pd catalysts for catalytic combustion of methane …
Porous liquid zeolites: hydrogen bonding-stabilized H-ZSM-5 in branched ionic liquids
Porous liquids, as a newly emerging type of porous material, have great potential in gas
separation and storage. However, the examples and synthetic strategies reported so far …
separation and storage. However, the examples and synthetic strategies reported so far …
Understanding polymer-porous solid interactions based on small gas molecule adsorption behavior
Understanding the interactions between molten polymers and inorganic porous solids is
critical for the heterogeneous catalytic conversion of waste polymers into useful chemicals …
critical for the heterogeneous catalytic conversion of waste polymers into useful chemicals …
Adsorption and cracking of propane by zeolites of different pore size
Abstract A hybrid QM: QM method (MP2:(PBE+ D2)+ ΔCCSD (T)) is employed that reaches
chemical accuracy (±4 kJ mol− 1) for periodic systems. Three mechanisms are considered …
chemical accuracy (±4 kJ mol− 1) for periodic systems. Three mechanisms are considered …
A perspective on catalysis in solid acids
RJ Gorte, SP Crossley - Journal of Catalysis, 2019 - Elsevier
Solid acids are among the most important heterogeneous catalysts, finding many
applications ranging from hydrocarbon cracking and alkane isomerization [1] in petroleum …
applications ranging from hydrocarbon cracking and alkane isomerization [1] in petroleum …
Investigation of load-dependent heat of adsorption of alkanes and alkenes on zeolites and activated carbon
C Bläker, C Pasel, M Luckas, F Dreisbach… - Microporous and …, 2017 - Elsevier
To investigate the load-dependent heat of adsorption a sensor gas calorimeter was
developed which allows the simultaneous measurement of adsorption capacity and heat of …
developed which allows the simultaneous measurement of adsorption capacity and heat of …
Effect of Al content on number and location of hydroxyl acid species in zeolites: a DRIFTS quantitative protocol without the need for molar extinction coefficients
P Bräuer, PL Ng, O Situmorang, I Hitchcock… - RSC …, 2017 - pubs.rsc.org
In this work, we have systematically investigated the effect of the Al content on the number
and location of bridging hydroxyls (Brønsted acid sites) and terminal hydroxyls (terminal …
and location of bridging hydroxyls (Brønsted acid sites) and terminal hydroxyls (terminal …
Dual-Site Model for Ab Initio Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five (H-MFI)
Quantum chemical hybrid MP2: PBE+ D2 calculations in combination with molecular
statistics are employed to calculate enthalpies and Gibbs free energies of adsorption for …
statistics are employed to calculate enthalpies and Gibbs free energies of adsorption for …
Alkane–OH Hydrogen Bond Formation and Diffusion Energetics of n-Butane within UiO-66
Hydrocarbon diffusion and binding within porous molecular networks are critical to catalysis,
separations, and purification technologies. Fundamental insight into n-butane uptake and …
separations, and purification technologies. Fundamental insight into n-butane uptake and …