scholarly journals Insights into Water Adsorption in Potassium-Exchanged X-type Faujasite Zeolite: Molecular Simulation and Experiment

2021 ◽  
Author(s):  
Tarik Ammouli ◽  
Jean-Louis Paillaud ◽  
Habiba Nouali ◽  
Régis Stephan ◽  
Marie-Christine Hanf ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Water Adsorption ◽  
Simulation And Experiment ◽  
Faujasite Zeolite

scholarly journals Cation redistribution upon dehydration of Na58Y faujasite zeolite: a joint neutron diffraction and molecular simulation study

2015 ◽  
Vol 41 (16-17) ◽  
pp. 1371-1378 ◽  
Author(s):  
Wilfried Louisfrema ◽  
Benjamin Rotenberg ◽  
Florence Porcher ◽  
Jean-Louis Paillaud ◽  
Pascale Massiani ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Zeolite A ◽  
Cation Redistribution ◽  
Faujasite Zeolite

Neutral Sulfuric Acid–Water Clustering Rates: Bridging the Gap between Molecular Simulation and Experiment

2020 ◽  
Vol 11 (10) ◽  
pp. 4239-4244 ◽  
Author(s):  
Philip T. M. Carlsson ◽  
Steven Celik ◽  
Daniel Becker ◽  
Tinja Olenius ◽  
Jonas Elm ◽  
...  
Keyword(s):  
Sulfuric Acid ◽  
Molecular Simulation ◽  
Acid Water ◽  
Simulation And Experiment

The Effect of Local Defects on Water Adsorption in Silicalite-1 Zeolite:  A Joint Experimental and Molecular Simulation Study

Langmuir ◽  
2007 ◽  
Vol 23 (20) ◽  
pp. 10131-10139 ◽  
Author(s):  
M. Trzpit ◽  
M. Soulard ◽  
J. Patarin ◽  
N. Desbiens ◽  
F. Cailliez ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Water Adsorption ◽  
Zeolite A ◽  
Local Defects

Insights into Hydrophobic Ion Pairing from Molecular Simulation and Experiment

ACS Nano ◽  
2020 ◽  
Vol 14 (5) ◽  
pp. 6097-6106 ◽  
Author(s):  
Daniel J. Kozuch ◽  
Kurt Ristroph ◽  
Robert K. Prud’homme ◽  
Pablo G. Debenedetti
Keyword(s):  
Molecular Simulation ◽  
Ion Pairing ◽  
Simulation And Experiment ◽  
Hydrophobic Ion Pairing

Evidence of a framework induced cation redistribution upon water adsorption in cobalt exchanged X faujasite zeolite: A joint experimental and simulation study

2011 ◽  
Vol 138 (1-3) ◽  
pp. 45-50 ◽  
Author(s):  
Marie Jeffroy ◽  
Elena Borissenko ◽  
Anne Boutin ◽  
Angela Di Lella ◽  
Florence Porcher ◽  
...  
Keyword(s):  
Simulation Study ◽  
Water Adsorption ◽  
Zeolite A ◽  
Cation Redistribution ◽  
Faujasite Zeolite
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