0000000001307658

AUTHOR

Jean Pierre Bellat

showing 7 related works from this author

New force field for GCMC simulations of D 2 /H 2 quantum sieving in pure silica zeolites

2020

International audience; We report a study on adsorption and coadsorption of H2 and D2 in FAU, MFI and CHA pure silica zeolites having different pore sizes and shapes. Adsorption capacities, selectivities, enthalpies and entropies are determined by combining experiments and GCMC simulations. We show that the force fields available in the literature cannot predict the adsorption equilibria below 77 K with sufficient accuracy. Here we propose a new force field adjusted by using our experimental data obtained for the pure silica MFI zeolite at 65 K and 77 K. With this new force field, it is possible to predict the adsorption and coadsorption equilibria on the three zeolite structures in a tempe…

Pore sizeMaterials scienceGeneral Physics and AstronomyHigh loadingThermodynamics02 engineering and technologyAtmospheric temperature range010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesForce field (chemistry)0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryAdsorption[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]Physical and Theoretical ChemistryMolecular rearrangement0210 nano-technologyZeoliteQuantum
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CCDC 993985: Experimental Crystal Structure Determination

2014

Related Article: Nans Roques, Georges Mouchaham, Carine Duhayon, Stéphane Brandès, Aurélie Tachon, Guy Weber, Jean Pierre Bellat, Jean-Pascal Sutter|2014|Chem.-Eur.J.|20|11690|doi:10.1002/chem.201403638

Space GroupCrystallographybis(123-tris((Pyridinium-4-yl)oxy)-2-methylpropane) (mu~2~-oxalato)-hexakis(oxalato)-di-zirconiumCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 993988: Experimental Crystal Structure Determination

2014

Related Article: Nans Roques, Georges Mouchaham, Carine Duhayon, Stéphane Brandès, Aurélie Tachon, Guy Weber, Jean Pierre Bellat, Jean-Pascal Sutter|2014|Chem.-Eur.J.|20|11690|doi:10.1002/chem.201403638

Space GroupCrystallographyCrystal SystemCrystal Structurebis(123-tris((Pyridinium-4-yl)oxy)-2-methylpropane) (mu~2~-oxalato)-hexakis(oxalato)-di-zirconium di-iodine clathrateCell ParametersExperimental 3D Coordinates
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CCDC 993987: Experimental Crystal Structure Determination

2014

Related Article: Nans Roques, Georges Mouchaham, Carine Duhayon, Stéphane Brandès, Aurélie Tachon, Guy Weber, Jean Pierre Bellat, Jean-Pascal Sutter|2014|Chem.-Eur.J.|20|11690|doi:10.1002/chem.201403638

Space GroupCrystallographyCrystal SystemCrystal Structurebis(123-tris((Pyridinium-4-yl)oxy)-2-methylpropane) (mu~2~-oxalato)-hexakis(oxalato)-di-zirconium hydrateCell ParametersExperimental 3D Coordinates
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CCDC 993983: Experimental Crystal Structure Determination

2014

Related Article: Nans Roques, Georges Mouchaham, Carine Duhayon, Stéphane Brandès, Aurélie Tachon, Guy Weber, Jean Pierre Bellat, Jean-Pascal Sutter|2014|Chem.-Eur.J.|20|11690|doi:10.1002/chem.201403638

Space GroupCrystallographyCrystal SystemCrystal Structurebis(123-tris((Pyridinium-4-yl)oxy)-2-methylpropane) (mu~2~-oxalato)-hexakis(oxalato)-di-zirconium hydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 993984: Experimental Crystal Structure Determination

2014

Related Article: Nans Roques, Georges Mouchaham, Carine Duhayon, Stéphane Brandès, Aurélie Tachon, Guy Weber, Jean Pierre Bellat, Jean-Pascal Sutter|2014|Chem.-Eur.J.|20|11690|doi:10.1002/chem.201403638

Space GroupCrystallographyCrystal SystemCrystal Structurebis(123-tris((Pyridinium-4-yl)oxy)-2-methylpropane) (mu~2~-oxalato)-hexakis(oxalato)-di-zirconium hydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 993986: Experimental Crystal Structure Determination

2014

Related Article: Nans Roques, Georges Mouchaham, Carine Duhayon, Stéphane Brandès, Aurélie Tachon, Guy Weber, Jean Pierre Bellat, Jean-Pascal Sutter|2014|Chem.-Eur.J.|20|11690|doi:10.1002/chem.201403638

Space GroupCrystallographyCrystal SystemCrystal Structurebis(123-tris((Pyridinium-4-yl)oxy)-2-methylpropane) (mu~2~-oxalato)-hexakis(oxalato)-di-zirconium hydrateCell ParametersExperimental 3D Coordinates
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