scholarly journals Atomistic Investigations of the Effects of Si/Al Ratio and Al Distribution on the Adsorption Selectivity of n-Alkanes in Brønsted-Acid Zeolites

2018 ◽  
Vol 122 (17) ◽  
pp. 9397-9410 ◽  
Author(s):  
Chi-Ta Yang ◽  
Amber Janda ◽  
Alexis T. Bell ◽  
Li-Chiang Lin
2017 ◽  
Vol 19 (22) ◽  
pp. 14702-14707 ◽  
Author(s):  
Taku Matsuoka ◽  
Laurent Baumes ◽  
Naonobu Katada ◽  
Abhijit Chatterjee ◽  
German Sastre

New candidate zeolites with potentially strong Brønsted acidity have been computationally selected from the Treacy/Foster database of prospective zeolites.


2006 ◽  
Vol 2006 ◽  
pp. 1-9 ◽  
Author(s):  
Francisco Torrens ◽  
Gloria Castellano

A method for the calculation offractalsurfaces of crystals is presented. Thefractal dimensionDof fragments of zeolites is calculated. Results compare well with reference calculations (GEPOL). The active site of Brønsted acid zeolites is modeled by a set of Al–OH–Si units. These units form 2–12-membered rings. Topological indices for the different active-site models are calculated. The comparison between GEPOL and SURMO2 allows calculating the active-site indices. Most cavities show no fractal character, while for the 6–8-unit rings,Dlies in the range 4.0–4.3. The 6-ring shows the greatestDand is expected to be the most reactive.


2017 ◽  
Vol 54 (1) ◽  
pp. 54-63 ◽  
Author(s):  
Xu Li ◽  
Lan Wu ◽  
Qiong Tang ◽  
Jinxiang Dong

Author(s):  
Mizzanoor Rahaman ◽  
M. Shahnawaz Ali ◽  
Khorshada Jahan ◽  
Damon Hinz ◽  
Jawad Bin Belayet ◽  
...  

2021 ◽  
Author(s):  
Sergio Rojas-Buzo ◽  
Benjamin Bohigues ◽  
Christian W. Lopes ◽  
Débora M. Meira ◽  
Mercedes Boronat ◽  
...  

The Brønsted/Lewis acid properties of Hf-MOF-808 can be tuned by simply controlling the solvent employed in its synthesis, with direct catalytic implications on the activity and selectivity of organic reactions sensitive to the active site nature.


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