Recent Advances in the Science and Technology of Zeolites and Related Materials

Name: Recent Advances in the Science and Technology of Zeolites and Related Materials | Proceedings of the 14th International Zeolite Conference, Cape Town, South Africa, 25-30th April 2004
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Proceedings of the 14th International Zeolite Conference, Cape Town, South Africa, 25-30th April 2004

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Published on 14. May 2014

947 pages

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Content

Intro
Table of Contents
Silicalite-1 Crystals with Modified Morphology:HRTEM Imaging and Synthesis of B-Oriented Films
Abstract
Introduction
Experimental Section
Synthesis and Characterization of Modified MFI Crystals
Membrane Preparation and Xylene Isomer Separation
Results and Discussion
Conclusions
References
Microcrystal X-Ray Diffraction and NMR Studies of Thermal Expansion Properties of Pure Silica Zeolites FER and a Comparison with IFR
Abstract
Introduction
Results and Discussion
Concluding Remarks
Acknowledgement
References
HAS 17 O NMR Been Established as a Spectroscopic Tool for Zeolite Characterization?
Abstract
Introduction
Experimental
Results and Discussion
Acknowledgements
References
A Reinvestigation of the Disorder in Zeolite UTD-1
Abstract
Introduction
Description of Zeolite UTD-1 as an Array of Tubular Pores
Periodic Building Units
Connectivity of the Periodic Building Units
Simulation of XRD Patterns of Faulted Structures
Comparison with the Disorder in ZSM-48 and SSZ-31
Summary and Conclusions
Acknowledgements
References
Technique Integration Applied to Structure Solution: The Case of UZM-5. Details of the Structure, Faulting and Templating
Abstract
Introduction
Experimental Methods
Results
X-ray Diffraction
IR Spectroscopy
McBain Adsorption
Transmission Electron Microscopy
Structure Solution by Model Building
Rietveld Refinement of PXRD
Faulting in UZM-5
Discussion
Acknowledgments
References
Surface Structure Determination of Zeolites
Abstract
Introduction
Methodology
Results and Discussion
Conclusion
References
Characterization of Delaminated Zeolites by 129Xe NMR with Laser- Hyperpolarized Xenon
Abstract
Introduction
Experimental Section
Materials
Apparatus and Procedure
Results and Discussion
MCM-22 and ITQ-2
Ferrierite and ITQ-6
Conclusions
References
Elucidating the Dealumination Mechanism of Zeolite H-Y by Solid-State NMR Spectroscopy
Abstract
Introduction
Experimental Section
Results and Discussion
References
Stability upon Thermal Treatment of Coked Zeolite Beta
Abstract
Introduction
Experimental
Materials
Characterization
Results and Discussion
Characterization of not Impregnated Zeolite Beta
Structural Characterization
Spectroscopic Characterization
Conclusions
References
Characterisation and Evaluation of Hypothetical Zeolite Frameworks
Abstract
Introduction
Method
Results
Hypothetical Silica Polymorphs
AlPO4 vs. Silica Polymorphs
Three Trinodal Zeolites with D4R and Low Framework Density
Conclusions
Acknowledgements
References
Similarities between Atomic Properties in Dense and Open Aluminophosphate Sieves
Abstract
Introduction
Computational Details and Experimental Part
Geometry Optimizations
AlPO4-14 Sieve
AlPO4-15 Sieve
Comparison of the HBs in the AlPO4-14 and AlPO4-15 Sieves
Charge Distribution and Electron Density
Charge Distributions
Comparison of the ED at the Bond CP Positions of the H...O and Al-O Bond Types
Multipolar Representation of the ED in the TMC and Calcined ALPOs
Conclusions
Acknowledgements
References
Solid State NMR Studies of the Hydration of Molecular Sieve AlPO-36
Abstract
Introduction
Experimental
Results and Discussion
27Al MAS Single Pulse Spectra
As-synthesized Material
Calcined-dried Material
Calcined-rehydrated Material
31 P MAS Single-pulse Spectra
As-synthesized Material
Calcined-dried Material
Calcined-rehydrated Material
27Al MQMAS NMR Experiments
As-synthesized Material
Calcined-dried Material
Calcined-rehydrated Material
27Al/31P MAS INEPT Experiments
As-synthesized Material
Calcined-dried Material
Calcined-rehydrated Material
Conclusions
Acknowledgement
References
The Standardization of Zeolite-Type Crystal Structures
Abstract
Introduction
Systematics of Zeolite-Type Crystal Structures
Current Standardization Procedures
The Standardization of Zeolite-Type Structures
Example:ABW-Type Frameworks
Conclusion
References
Crystal-Chemical Comparisons of Zeolites based on Standardized Crystal Structure Data
Abstract
Introduction
Group-Subgroup Relationships
CHA-Type Frameworks
CAN-Type Frameworks
FAU-Type Frameworks
HEU-Type Frameworks
LEV-Type Frameworks
Chemical Compositions
Conclusion
References
Topological and Geometrical Characterization of Zeotypes with a Free Software Code Called Zeotsites: The Case Study of Germanium Location in Octadecasil
Abstract
Introduction
Computational Methodology
Bonds, Angles, and Coordination Sequences
Vertex Symbols
Case Study:Germanium Location in Octadecasil
Conclusions
References
The Structure of Subcolloidal Zeolite Precursor Nanoparticles
Abstract
Introduction
Experimental
29Si NMR Spectroscopy
Small Angle Neutron Scattering
Simulations
Results
Solution 29Si NMR
Small Angle Neutron Scattering
Kratky Plots
Pair Distance Distribution Function
Conclusions
References
Synthesis and Structure of ECR-40: An Ordered SAPO having the MEI Framework
Abstract
Introduction
Experimental Section
Results and Discussion
Conclusion
References
3D Computer Simulation of Zeolite a Crystal Growth
Abstract
Introduction
3D Simulation Methodology
Results and Discussion
Conclusions
References
The Investigation of Beta Polymorphs by 19F Nuclear Magnetic Resonance
Abstract
Introduction
Experimental
Materials
Techniques
Results and Discussion
Conclusions
Acknowledgements
References
Similarities between the Clathrasil Framework Types DOH, DDR, MEP and MTN
Abstract
Introduction
Alternative Description of the Clathrasils using Periodic Building Units
Periodic Building Units (PerBU1 and PerBU2)
Stacking Sequences of the Periodic Building Units
Stacking Sequences of PerBU1's
Stacking Sequences of "Extended" PerBU1's
Stacking Sequence of the Orthogonal (Extended) PerBU2's
References
Ordered Intergrowths of ETS-10
Abstract
Defects in ETS-10
Procedure for the Quantification of Defects and Stacking Disorder in ETS-10 from HREM Images
Stacking of Double-pores
New Structure Type (CMM-5)
Conclusions
References
Measuring the Silion Fluoride Bond Distance in Zeolites
Abstract
Introduction
Experimental Section
Solid-State NMR
Calculations
Results and Discussion
Fast Spinning 29Si Spectra
Measurement of Si-F Distance by MAS NMR
Conclusions
Acknowledgement
References
Stability of Framework Aluminum in the New Zeolite UZM-5
Abstract
Introduction
Calcinations to Remove Template in UZM-5
Air Calcination Followed by Aqueous NH4 + Exchange
NH3 Calcinations
Cation Exchange Forms
Dealumination of Zeolites from Repetitve Calcinations
Framework Al
Zeolite Crystallinity
Analysis
Summary
Experimental
Acknowledgments
References
Synthesis, Characterization, and Applications of the New Zeolite UZM-5
Abstract
Introduction
Experimental
Synthesis
UZM-5 TMA
UZM-5 TMA/Na
UZM-5 P
UZM-5 P2
Characterization
Microreactor Testing
Results and Discussion
Morphological Differences
Physical/Chemical Properties
Microreactor Testing
Heptene
Meta-xylene
Conclusions
References
Structure and Ion Exchange Properties of the Natural Zeolites Edingtonite and Goosecreekite
Abstract
Introduction
Experimental Section
Results and Discussion
EDI Structures
GOO Structures
Thermal Decomposition of EDI and GOO
Thermogravimetric-differential Thermal Analysis
In Situ Variable Temperature Powder X-ray Diffraction
Concluding Remarks
References
Investigation of Cancrinite Structures by Powder Neutron Diffraction
Abstract
Introduction
Experimental
Structure Analysis and Results
Ordered Cancrinite, [Na8(CO3).(D2O)n] [AlSiO4]6-CAN
Disordered Cancrinite [Na8_y(CO3)1-y/2.(D2O)n] [AlSiO4]6- CAN/SOD
Variable Temperature Studies
Discussion of the Cancrinite Structures
Ordered Cancrinite, [Na8(CO3).(D2O)n] [AlSiO4]6- CAN
Disordered Cancrinite [Na8-y(CO3)1-y/2.(D2O)n] [AlSiO4]6- CAN/SOD
Thermal Decomposition of Ordered and Disordered Cancrinites
Conclusions
Acknowledgement
References
Novel Synthesis and Characterization of Vanadium Aluminosilicates with BEA Structure
Abstract
Introduction
Experimental
Materials
Synthesis
Characterization
Results and Discussion
Hydrothermal Synthesis
Physicochemical Properties
Morphology
Framework IR Vibration
Electroparamagnetic Property
DRS Property
Conclusion
Acknowledgement
References
The Pore Size Analysis of Mesoporous Films by Krypton Adsorption
Abstract
Introduction
Experimental Section
Results and Discussions
Conclusion
References
IR Spectra of Zeolites Recorded at Liquid Helium Temperature
Abstract
Introduction
Experimental
Results and Discussion
The Effect of Temperature, Si/Al Ratio and Water Content on IR Bands of Framework Vibrations of Zeolites
The Effect of Zeolite Structure on Low Temperature IR Spectra of Zeolites
Conclusions
Acknowledgment
References
Is the Intensity of OH IR Stretching Bands a Measure of the Bronsted Acidity Strength of Zeolite?
Abstract
Introduction
Experimental
Results and Discussion
Conclusion
References
An Improved 1H NMR Spectra Interpretation of B and Al Zeolites with Dipolar Methods
Abstract
Introduction
Experimental Section
Results and Discussion
Conclusions
References
The Effect of Chemical Composition and Structure on XPS Binding Energies in Zeolites
Abstract
Introduction
Experimental
Results and Discussion
Conclusions
Acknowledgement
References
A Pair Distribution Function Analysis for Zeolite Beta
Abstract
Introduction
Experimental Section
Results and Discussion
Structure Refinement
Conclusions
References
Quantification of Electric-Field Gradients in the Supercage of HY, Steam-Dealuminated Y and Lanthanum-Exchanged Y Zeolites by 129Xe and 131Xe NMR of ...
Abstract
Introduction
Experimental
Results and Discussion
Conclusion
References
A Soft X-Ray EXAFS Study of the Local Structure of Tetrahedral Aluminium in Zeolites
Abstract
Introduction
Experimental
Results and Discussion
Acknowledgements
References
Investigations of the Mechanism of Dealumination of Zeolite Y by Steam: Tuned Mesopore Formation Versus the Si/Al Ratio
Abstract
Introduction
Experimental
Results and Discussion
Determination of the Si/Al Ratios
Pore Size Architecture
Conclusion
Acknowledgement
References
Structural Evolution of Calcium or Lanthanum-exchanged(NH4)2SiF6-Dealuminated Y Zeolite after Various Chemical Treatments
Abstract
Introduction
Experimental
Sample Preparation
Dealumination of (NH4)Y(LZY64) Zeolite by (NH4)2sif6.
Cacl2 or La(NO3)3 Exchange of Zeolite YD
Acid-base Treatment
Spectroscopy
X-ray Diffraction: &/h3~&
29Si NMR Spectra
27Al NMR Spectra
Results and Discussion
Sample Characterization
Structural Evolution of the Samples after Acid-base Treatment
YD Zeolite
CaYD Zeolite
LaYD Zeolite
29Si and 27Al NMR Study
CaYD Zeolite
LaYD Zeolite
Conclusion
References
The Stability of H-MCM-22 Under Severe Thermal Conditions
Abstract
Introduction
Experimental
Results and Discussion
Conclusions
Acknowledgements
References
Kinetic Study of LiAlSio4 Formation from Li-Exchanged Zeolite a by Time-Resolved Synchrotron Powder Diffraction
Abstract
Introduction
Experimental Section
Material
Time Resolved Powder Diffraction Experiment
Used Methods for the Phase Calculations
Results and Discussion
Conclusion
References
Si Atoms in SAPO-31: A Computational Study
Abstract
Introduction
Computational Details
Results and Discussion
Pure AIPO-31
Isolated Si-H+ Substitution
Silicon Islands
Conclusions
Acknowledgement
References
Modelling Mesoporous Materials with Analytical Functions
Abstract
Introduction
Experimental
References
Deriving Pore Size Distributions of Solids with both Micro- and Mesopores from Comparison Plots
Abstract
Introduction
Experimentals
Results and Discussion
t- plot and the Curve of Accumulating Pore Volume
Empirical Relation between t and Pore Diameter D
Procedures to Derive Quantitative PSD
Conclusions
Acknowledgment
References
Exploring the Internal Structure of Mesoporous Powders and Thin Films by Continuous Flow Laser-Enhanced 129Xe NMR
Abstract
Introduction
Experimental
Materials
Optical Pumping Setup
NMR
Results and Discussion
129Xe Chemical Shift
Variable Pressure Experiments for MCM-41 and SBA-15 Samples
Variable-temperature 129Xe NMR Spectra for MCM-41 and SBA-15 Samples
Mesoporous Silica Film
Conclusion
References
Characterization of AlPO- and SAPO-based Mesostructured Materials by Solid-State NMR
Abstract
Introduction
Experimental
Results and Discussion
SAPO-based Mesoporous Molecular Sieve
AlPO-based Mesostructured Lamellar Material
Summary
Acknowledgements
References
Pore Wall Structure Modeling of MCM-41 Type Silica using Molecular Dynamics Simulation
Abstract
Introduction
Methodologies
Molecular Dynamics Simulation Methods
Modeling Methods for MCM-41 Type Silica
Pore Structure Analysis
MD Simulation of Other Silica
Results and Discussion
Conclusion
References
In Situ FTIR Study of the Thermal Treatment on Boron Containing Mesoporous Molecular Sieve MCM-41
Abstract
Introduction
Experimental Section
B-MCM-41 Synthesis
In Situ DRIFTS Monitoring
Results and Discussion
Conclusion
Acknowledgement
References
FTIR Study of Fe-doped MCM-41 Mesoporous Molecular Sieves
Abstract
Introduction
Experimental
Results and Discussion
Texture and Structure Study
FTIR Study
NO Adsorption on Non Modified Materials (MCM-41, AlMCM-41, NbMCM-41)
NO Adsorption on Fe-doped Silicate MCM-41 Materials
NO Adsorption on Fe-doped Niobium-containing MCM-41
NO Adsorption on Fe-doped Aluminium Containing MCM-41
Conclusions
Acknowledgments
References
The Surface Acidity of Mesoporous Silicoaluminophosphates:A FTIR Study
Abstract
Introduction
Experimental Section
Results and Discussion
Conclusion
Acknowledgements
References
Design and Control of Acidic Strength in Ordered Mesoporous Aluminosilicates by Using Preformed Zeolite Precursors
Abstract
Introduction
Experimental
Results
X-ray Diffraction
Isotherms for N2
NH3-TPD
Discussion
References
Spectroscopic Evidence of SBA-15 Mesoporous Solids Functionalization
Abstract
Introduction
Experimental Section
Results and Discussion
Conclusion
References
An Inherent Macroperiodic Assembly or an Artificial Beauty?
Abstract
Introduction
Experimental Section
Results and Discussion
References
Differences between Isolated Silanols in All-Silica ITQ-2 and MCM-41
Abstract
Introduction
Experimental
Results and Discussion
H-bonding with Probes: Acidity of Silanols
Optical Isotherms and Equilibrium Constants
Conclusions
References
Characterization of the Superacidit Y in Zeolite Y by 27Al MAS and 1H/27 Al Trapdor NMR and FTIR:Correlation with Catalytic Activity
Abstract
Introduction
Experimental
Materials
IR Experiments
NMR Experiments
Catalytic Tests
Results and Discussion
Characterization Results
27Al MAS and 1H/27Al TRAPDOR NMR Results
IR Measurements
Catalytic Results
Discussion and Conclusion
Acknowledgements
References
Studies on Physicochemical and Catalytic Properties of Borosilicate Zeolites
Abstract
Introduction
Experimental Section
Results and Discussion
Physicochemical Characterization of Starting Materials: B-SSZ-33, SiOH-SSZ-33 and Si- SSZ-33
Physicochemical Characterization of Pt/B-SSZ-33, Pt/SiOH-SSZ-33 and Pt/Si-SSZ-33
Catalytic Characterization of Pt/B-SSZ-33, Pt/SiOH-SSZ-33 and Pt/Si-SSZ-33
Summary
Acknowledgements
References
Cation Dynamics in Zeolites Studied by MAS-NMR
Abstract
Experimental Section
Results and Discussion
Chromate Cancrinite
Carbonate Cancrinite
Sulfate Cancrinite
Conclusions
References
Dielectric Relaxation Spectroscopy:The Location and De-trapping Energy of Extra-Framework Cations in Zeolites
Abstract
Introduction
Dielectric Relaxation
Experimental
Materials
Experiments
Modelling
Results and Discussion
Conclusion
References
ESR and ESEEM Study of Silver Clusters in SAPO-17 and SAPO-35 Molecular Sieves
Abstract
Introduction
Experimental
Results
Discussion
Conclusions
References
Disproporationation of Two Elements, Sulfur and Iodine, upon Sorption into Fully Dehydrated Fully cd2+ -Exchanged Zeolite X
Abstract
Introduction
Experimental Section
Results and Discussion
References
A Quantum Chemical Study of the Interaction of Carbonyls with H-ZSM-5 Zeolite
Abstract
Introduction
Methods
Results and Discussion
Comparisons of Quantum Cluster with ONIOM Models
The Interactions of Acetone and Acetaldehyde with the H-ZSM5 Zeolite
Conclusions
Acknowledgments
References
The Interaction of Co and No with Co Sites in CoZSM-5 Zeolite.FTIR, EPR and Theoretical Studies
Abstract
Introduction
Materials and Methods
Results and Discussion
Transformations Due to the Thermal Activation
Structure of Bare Cobalt Sites
Interaction of CoZSM-5 with CO
Formation of Nitrosyl Adducts with CoZSM-5
Conclusions
Acknowledgments
References
Adsorption of Methanol on MCM-36 Derivatives with Strong Acid and Base Sites
Abstract
Introduction
Experimental
Results and Discussion
Infrared Spectra of Activated Materials
Interaction of Methanol with the Zeolitic Bronsted Acid Sites on MCM-22
Adsorption of Methanol on (Mixed) Oxide Pillared MCM-36 Materials
Reaction of Methanol on Al2O3-MCM-36
Thermal Decomposition of Adsorbed Methanol Species
Conclusions
Acknowledgements
References
Computational Studies of Hydration in Na+ -Mordenite Zeolites
Abstract
Introduction
Computational Methodology
Interatomic Potential
Energy Minimisation Procedure
Molecular Dynamics Simulation
Results and Discussions
Conclusion
Acknowledgments
References
Characterization the Bacisity of Calcium-Modified NaZSM-5 Zeolites
Abstract
Introduction
Experimental
Results and Discussion
Conclusion
Acknowledgements
References
Isomerization of K(CO)+ and K(OC)+ Carbonyls Formed upon CO Adsorption on the Faujasite-Type K-Y Zeolite
Abstract
Introduction
Experimental
Results and Discussion
Acknowledgements
References
Motions of K+ Ion in Zeolite L
Abstract
Introduction
Experimental
Results and Analyses
Discussion
Acknowledgements
References
Color Modification of Ultramarine Analogs Prepared from Zeolites
Abstract
Introduction
Experimental
Results and Discussion
Conclusions
References
In Situ Characterisation by Anomalous X-Ray Diffraction of the Cationic Distribution of Dehydrated SrRbX Zeolite
Abstract
Introduction
Experimental Section
Results and Discussion
Conclusion
References
Evidence of a Solvent Screen Effect Affecting the Redox Properties of Co(II) Ions in CoApO-37, CoAPO-40 and CoIST-2(AEN), by Cyclic Voltammetry
Abstract
Introduction
Experimental
Samples
Cyclic Voltamperommetric Measurements
Results and Discussion
Theoretical Expectations for the Stability of P-(OH)-Co(II) Species in Different Pore Structures
Comparative Electrochemical Behavior of CoAPO-37, CoAPO-40 and CoIST-2
Conclusions
Acknowledgments
References
The IR Studies of the Status of Cu+ Ions in CuZSM-5 CuBeta and in CuMCM-41
Abstract
Introduction
Experimental
Results and Discussion
Electron Donor Properties of Cu+ and Activation of Adsorbed Molecule
TPD-IR Studies of the Heterogeneity of Cu+ Sites in Zeolites
Reduction and Oxidation of Cu+ in Zeolites
Acknowledgment
References
Copper Clusters in Zeolites
Abstract
Introduction
Zeolite Characterization
Theoretical Background
Calculation of Geometry
Calculation of Absorption Bands and Comparison with Experiment
Conclusions
Acknowledgements
References
The Reduction of Copper in Porous Matrices
Abstract
Introduction
Experimental
Results
Discussion
Conclusions
Acknowledgements
References
An Infrared and Solid-State NMR Study of the H2S Adsorption on Basic Zeolite
Abstract
Introduction
Experimental
Samples
IR Study
NMR Study
Results
IR Spectroscopy
Proton (1H) MAS NMR
Discussions and Conclusions
References
Room Temperature Interaction of Co with Alkali-Metal Cations in M-ZSM-5 Zeolites as Studied by Joint FT-IR Spectroscopy and Microcalorimetry
Abstract
Introduction
Experimental Section
Results and Discussion
Conclusions
References
IR X-Ray and Thermal Studies on Zeolite-13X and its Mn(II) and Zn(II) Exchange and Adsobed Derivatives
Abstract
Introduction
Experimental Methodology
Results and Discussion
Conclusion
References
Stabilization and Magnetic Property of Mononuclear Zn+ Species in SAPO-CHA
Abstract
Introduction
Experimental
Results and Discussion
The Magnetic Susceptibility of the Mononuclear Univalent Zinc
The Stabilization of Mononuclear Zn+ Cations in SAPO-CHA
The Interaction between the Mononuclear Zn+ Cations and NH3
Conclusion
Acknowledgments
References
Deposition of Platinum into Beta-Zeolite
Abstract
Introduction
Experimental Section
Results and Discussion
Conclusions
Acknowledgements
References
XAFS Investigation of Nanoparticles Supported on Faujasite: Effect of Hydrogen Chemisorption on the Atomic Structure
Abstract
Introduction
Experimental Section
Sample Preparation
Sample Characterization
X-ray Absorption Fine Structure
Results and Discussion
Conclusion
Acknowledgement
References
Water Relaxation Behavior Inside the Pores and Cages of Some Molecular Sieves
Abstract
Introduction
Experimental
Results and Discussions
Faujasite
Nanoporous Molecular Sieves
Discussion
Conclusions
Acknowledgements
References
2D-IR Pressure Jump Spectroscopy for the Study of Adsorbed Species on Zeolites (2D-PJAS-IR)
Abstract
Introduction
Experimental Part
Results and Discussion
Pressure Jump Spectroscopy of Adsorbed Species (PJAS)
Gas Phase Acetic Acid: Monomer and Dimer in Equilibrium
Study of Adsorbed Acetonitrile on Mordenite
Conclusion
Acknowledgements
References
Effect of Hydration Levels and Pressure on Zeolite Structure
Abstract
Introduction
Methodology
Results and Discussion
The Structure of Scolecite and Natrolite
The Dehydration of Scolecite and Natrolite
Pressure Induced Overhydration of Natrolite
Dehydration of Laumontite
Conclusions
References
Investigation of Conformational Changes of Simple 1-Butene Sorbed in Zeolites by Proton HR MAS NMR Spectroscopy
Abstract
Introduction: Aim and Scope
Experimental
1H NMR Chemical Shift:Dynamic of Adsorption
2D1H NOESY NMR
Homonuclear and Hetronuclear Cross-Relaxation
Conclusions
References
Mobility of Benzene Molecules in NaEMT and KL Zeolitc Nanostructures Studied by 2H NMR Technique
Abstract
Introduction
Experimental
Materials and XRD Data Collection
Data Treatment
Results and Discussion
Motion of Benzene in KL Zeolite
Motion of Benzene in Naemt Zeolite
Conclusions
Acknowledgements
References
Double Interaction between Ammonia and NaY Zeolite and Migration of Na+ upon Adsorption of Ammonia Evidenced by Neutron Diffraction
Abstract
Introduction
Experimental Section
Starting Samples
Adsorption of d3-ammonia on the Dehydrated Sample
Neutron Data Collection and Refinement Details
Results and Discussion
Conclusions
Acknowledgements
References
An Accelerated Quantum Molecular Dynamics Study of NH3 Interaction with the Bronsted Acid in Periodic Zeolite Models
Abstract
Introduction
Models and Computational Details
Results and Discussion
References
Nuclear Magnetic Resonance Investigation on the Adsorption of Pyrrole over Alkali-Exchanged Zeolites X
Abstract
Introduction
Experimental
Materials
Solid State NMR
Results and Discussion
1H MAS NMR: The Validity of Pyrrole as an NMR Probe Molecule
23Na MAS NMR of Zeolite NaX
23Na and 133Cs MAS NMR of Zeolite CsNaX: The Selective Adsorption of Pyrrole
Conclusions
Acknowledgements
References
Experimental and Theoretical Investigations of the Structure and Synthesis of Inorganic-Organic Hybrid Solids
Abstract
Introduction
Methodology
Density Functional Theory (DFT)
Monte Carlo - Simulated Annealing
Results and Discussion
The Structure and Synthesis of AlMePO-Alpha and AlMePO-Beta
The Structure of Aluminium Benzylphosphonate II (AlBzPO-II)
The Synthesis of Zinc Carboxylates Structures
Conclusion
References
Comparison of the Thermal Stability of Ru Cationic Complexes in BEA and Y Zeolites
Abstract
Introduction
Experimental Section
Materials
Characterizations
Results
UV-visible Study of the [Ru(NH3)6]3+ Exchange Solution
Influence of the Drying Temperature on the Characteristics of the Ru Species
Decomposition of the Ru Complexes during Reduction and Ru° Dispersion
Conclusion
Acknowledgments
References
Monitoring the Intracrystalline Distribution of Guest Molecules in Zeolites
Abstract
Introduction
Experimental
Results and Discussion
Methanol in CrAPO-5: Equilibrium with the Vapour Phase
Methanol in CrAPO-5: Uptake Kinetics
Water in CrAPO-5 and SAPO-5: Equilibrium with the Vapour Phase
Methanol in Ferrierite: Uptake Kinetics
Conclusion
Acknowledgement
References
Investigation of Adsorption Hysteresis in Microporous Materials
Abstract
Introduction
Experimental and Computer Simulation Procedures
Results and Discussion
Conclusions
References
Structural and Dynamic Properties of Confined Water in Model Porous Materials (Alpo4-5, Mcm-41)
Abstract
Introduction
Experimental Section
Results and Discussion
Water Sorption in the Mesopores of the MCM-41 Sample
Finite Size Effects and Diffractogram Modifications
Water Sorption in the Micropores of the AIPO4-5 Zeolite
Confined Water Properties in the Mesoporous and Microporous Confinement Range
Conclusion
References
The Energetical Contribution of Gas/Liquid Interfaces during Mesopores Filling Processes:A Thermodynamical Study
Abstract
Introduction
Experimental
Results
Conclusion
References
Adsorption of Toluene over Faujasite Zeolite Investigated by the Combined Quantum Mechanics/Molecular Mechanics Method
Abstract
Introduction
Method
Results and Discussion
Structures of Faujasite Zeolite Models
Interactions of Toluene with Faujasite Zeolites
Conclusions
Acknowledgments
References
1H and 13C NMR Studies of Long Chain Hydrocarbons Adsorbed on MCM-41 and Zeolite Nax
Abstract
Introduction
Experimental
Sample Preparation
NMR Measurements
Results and Discussions
Conclusions
References
Molecular Spring or Bumper: A New Application for Hydrophobic Zeolitic Materials
Abstract
Introduction
Experimental
Synthesis and Characterization
Compressibility Tests
Results and Discussion
Characteristics of the Zeolite Samples
The Silicalite-1 (F) Sample
The Decadodecasil 3R Sample
The Zeolite Beta (F) Sample
Pressure-Volume Isotherms
Conclusion
Acknowledgments
References
Hydrogen Storage and Diffusion in 6-Ring Clathrasils
Abstract
Introduction
Theory
Results
Discussion
Conclusion
References
Structure and Energetics of Nitrous Oxide and Methane Adsorption on the Fe-ZSM-5 Zeolite: ONIOM and Density Functional Studies
Abstract
Introduction
Methods
Results and Discussion
Structures of the Alpha-site [Fe(II)O+/ZSM-5-]
Structures of the Alpha-oxygen Loaded Site [Fe(III)O2+/ZSM-5-]
Adsorption of Nitrous Oxide on the Alpha-site
Adsorption of Methane on the Alpha-oxygen Loaded Site
Conclusions
Acknowledgments
References
Molecular Simulation for Adsorption of Chlorinated Hydrocarbon in Y-Type Zeolites
Abstract
Introduction
Experimental
Gravimetric Method
Chromatographic Method [1]
Simulation
Models
Results and Discussion
The System of PQ-USY
The System of USY6.18
Molecular Dynamics (MD) Method
Conclusions
Nomenclature
References
Adsorption of Bulky Nitrosamines on Zeolite with Small Pore Size
Abstract
Introduction
Experimental
Results and Discussion
The Structure of Nitrosamine and the Analysis of the Adsorption Model
The Actual Adsorption of NHMI and NNN on the Zeolites with Small Pore Size
Conclusion
Acknowledgements
References
Sorption of Volatile Organic Compounds on Zeolites with Microwave Irradiation
Abstract
Introduction
Experimental
Results
Adsorption and Desorption of Pure Products with and without Microwave Irradiation
Chlorobenzene
Adsorption of Cyclohexane and Methanol
Desorption of Cyclohexane and Methanol
Adsorption and Desorption of Mixtures
Methanol/Cyclohexane
Chlorobenzene/Cydohexane
Discussion and Conclusion
Acknowledgement
References
Co-Template Impact on Structure of AFI Type Crystals: An Adsorption Study
Abstract
Introduction
Experimental
Results and Discussion
Materials
Adsorption of Nitrogen
Adsorption of Benzene
Adsorption of Water
Conclusions
Acknowledgements
References
Removal of Uranyl Carbonate Complex using Zeolites and MCM-41/ZSM-5 Composite
Abstract
Introduction
Experimental
Result and Discussion
Applied Zeolites
Applied MCM-41/ZSM-5
Acknowledgment
References
Evaluation of Iron Modified Zeolites for Removal of Arsenic from Drinking Water
Abstract
Introduction
Materials and Methods
Results and Discussion
Conclusion
Acknowledgements
References
Removal of Metal-Complex Dyestuffs by Croatian Clinoptilolite
Abstract
Introduction
Experimental Section
Samples
Sample Characterization
Treatment Procedure of the Clinoptilolite
General Procedures
Results and Discussion
Conclusions
References
Vitrification of CsA and CsX Zeolites
Abstract
Introduction
Experimental
Results and Discussion
Conclusion
References
Alkali Cations Exchange in MCM-22
Abstract
Introduction
Experimental
Materials
Equilibrium Studies
Treatment of Data
Structure Refinements
Results and Discussion
Ion Exchange Isotherms
Thermodynamic Treatment of Data
Structure Refinement
Conclusion
References
Ion Exchange Equilibria in a Synthetic Merlinoite
Abstract
Introduction
Materials and Methods
Materials and their Characterization
Cation Exchange Capacity
Ion Exchange Runs
Analytical Procedures
Computation of the Thermodynamic Parameters
Results
Merlinoite Characterization
Ion Exchange Equilibria
Thermodynamic Parameters
Discussion
Conclusion
References
Ionic Exchange and Thermal Characterisation of Different Cation Exchanged forms of ETS-4
Abstract
Introduction
Experimental
Results and Discussion
Thermal Characterization
Ionic Exchange in Equilibrium Conditions
Application of Different Exchanged Cationic forms of ETS-4 for the Removal of Ammonium
Characterization of NH4-ETS-4
Conclusion
Acknowledgements
References
Modelling of n-Hexane and 3-Methylpentane Permeation through a Silicalite-1 Membrane
Abstract
Introduction
Modelling
Single-component Permeation
Binary Mixture Permeation
Experimental
Results and Discussion
Single-component Permeation
Binary Mixture Permeation
Conclusion
References
Chromatographic Liquid Phase Separation of n-Alkane Mixtures using Zeolites
Abstract
Introduction
Experimental
Results and Discussion
Conclusions
Acknowledgements
References
Long-Chain Paraffins Adsorption over 5A Zeolites
Abstract
Introduction
Experimental Section
Materials
Procedure for Gravimetric Runs
XRD Experiments
Results and Discussion
Variation of the Calcium Exchange Ratio
Thermal Treatment Effect
Conclusion
Acknowledgement
References
Enantioselective Adsorption of Hydrobenzoin on Zeolite Beta
Abstract
Introduction
Experimental
Results and Discussion
Conclusion
References
Sorption Equilibria of Nitrogen and Oxygen on Li,RE-LSX Zeolite for Oxygen PVSA Processes
Abstract
Introduction
Experimental
Sorption Experiments
Mathematical Experiments
Sorbents and their Characterization
Results and Discussion
Sorption-thermodynamic Data
Li,RELSX Structures for Simulation
Simulation Results and Discussion with Other Characterization Data
Conclusions
Acknowledgments
References
Time Resolved Multicomponent Sorption of Linear and Branched Alkane Isomers on Zeolites, using NIR Spectroscopy
Abstract
Introduction
Experimental Section
Results and Discussion
Single Component Isotherms
Near Infrared Spectroscopy
Conclusions
Acknowledgements
References
SMB: Mono-Methyl Paraffin Separation
Abstract
Introduction
MMP Sorbex TM Development
Silicalite Adsorbent
Molecular Simulation
Pulse Test
Sorbex Pilot Plant Demonstration
Conclusion
References
Molecular Siting in the Liquid-Phase Adsorption of Alkane and Aromatic Mixtures in MFI Zeolites:An Experimental and Molecular Modeling Study
Abstract
Introduction
Methods
Thermodynamic Equilibrium
Mixtures of Aromatics
Mixtures of Alkanes
Experiments for Mixtures of Alkanes
Results
Conclusions
Acknowledgments
References
Chromatographic Adsorption Measurement of Chlorinated Organics on High Silica Zeolite
Abstract
Introduction
Experimental Procedure and Conditions and Method of Analysis
Result
Adsorption Equilibrium Constant
Axial Dispersion
Diffusion in Macropore
Diffusion in Micropore
Discussion
Conclusion
Notation
References
Solvent Recovery by PSA with High Silica Zeolite:An Experimental and a Simulation Study
Abstract
Introduction
Experimental
Adsorption Equilibria
PSA Experimental Procedure
Results
Result for EX20P
Result for PQ-USY
Comparison of PQ-USY with EX20P
Breakthrough Curves and Simulation
PSA Simulation
Discussion
Prediction of the Adsorption in the Adsorption Bed
Toward Optimization
Non Isothermal Effect
Conclusion
References
Adsorption Removal of the Mixed Organic Solvent Stream by High Silica Zeolite
Abstract
Introduction
Experimental
Adsorbent
Experimental Procedure
Molecular Simulation
Result and Discussion
Breakthrough Curves
Adsorption Equilibria
Stop and Go Method
Molecular Simulation
Conclusion
References
Continuous Separation of Amino Acids from Aqueous Solution in a Flow-Type Adsorber by Molecular Sieve Adsorbents
Abstract
Introduction
Experimental Section
Adsorbent Preparation and Characterization
Batch Adsorption of Amino Acids
Continuous Adsorption of Amino Acids
Results and Discussion
Conclusions
Acknowledgements
References
The Application of Zeolite/FAC Composites in Protein Separation
Abstract
Introduction
Experimental Section
Preparation of the ZSM-5/FAC
Immobilization of Transitional Metal Ions
Protein Separation Process
Results and Discussion
Preparation and Characterization of ZSM-5/FAC Composites
Protein Separation
Conclusion
Acknowledgements
References
Reduction of Hydrocarbon Emission from Engine Exhaust using Zeolitic Adsorbers
Abstract
Introduction
Experimental
Adsorbent Materials
Equilibrium Adsorption Measurements
Dynamic Adsorption Measurements
Results and Discussion
Adsorption Measurements with Single Hydrocarbons or Artificial Mixtures
Adsorption Measurements in Real Condition with Engine Exhaust Gas
Conclusions
Acknowledgments
References
Mass Transfer Processes during Sorption and Diffusion of Aromatic Molecules on Medium Pore Zeolites
Abstract
Introduction
Experimental
Sample
Experimental Setup
Principle IR Spectroscopic Method Applied
Sample Preparation, Activation
Data Analysis
Results
Discussion
Conclusions
Acknowledgments
References
Diffusion of n-Hexane into the Etched ZSM-5 Crystals
Abstract
Introduction
Experimental
Results and Discussion
Conclusions
Acknowledgements
References
Diffusivities of Co2 and N2 in Silicalite, Comparison between Quasi-Elastic Neutron Scattering and Molecular Simulations
Abstract
Introduction
Quasi-elastic Neutron Scattering Experiments
Molecular Dynamics Simulations
Results and Discussion
Acknowledgments
References
Development of Thermodynamically Consistent, Experiment-Based Molecular Models of Diffusion through Thin Microporous Membranes
Abstract
Introduction
Capturing Equilibrium Diffusion Behavior Via Lattice Models
Thermodynamic Consistency of Hybrid Molecular-Based and Experiment-Based Models
Factorial Design Approaches to Experimental Parameterization of Lattice Monte Carlo Models
Effects of Thermodynamic Inconsistency on Equilibrium Solutions
Modeling Transport through Very Thin Membranes
Conclusions
References
Mobility of Nitrogen in Li, RE-LSX Zeolite Beads
Abstract
Introduction
Experimental
Frequency-response Technique
Piezometric Sorption-kinetic Technique
Sorbent
Results and Discussion
Nitrogen Mobility in Li,RE-LSX Beads
Identification of Mass-transfer Mechanism by FR Technique
Effective and Macropore Diffiisivities
Temperature Dependencies of Effective and Macropore Diffusivities
Concentration Dependence of Effective Time Constants
Overall Uptake-rate Constants for Nitrogen
Conclusions
References
Adsorption and Diffusion of Nitrogen and Oxygen in Natural Mordenites
Abstract
Introduction
Experimental Section
Materials
Adsorption Isotherms
DRIFT Spectroscopy
Mercury Porosimetry
FR Spectroscopy
Results and Discussion
Conclusions
Acknowledgements
References
Drift Spectroscopy of Nitrogen Diffusion, Codiffusion and Counterdiffusion from N2-O2 Mixtures in Zeolites
Abstract
Introduction
Experimental
Results and Discussion
The NaLSX and NaZSM-5 Systems
The NaA System
Conclusions
References
Multicomponent Diffusion and Sorption Analysis of the Direct Hydroxylation of Methyl-Aromatics on Zeolites
Abstract
Introduction
Experimental
Modelling
Results and Discussion
Conclusions
References
A Molecular Dynamics (MD) Study of Methane in Silicalite-1: A Novel Moller-Plesset Potential Energy Surface
Abstract
Introduction
Novel Intermolecular Pair Potential
Molecular Dynamics Simulations
Results and Discussion
Conclusion
Acknowledgements
References
Random Walk Treatment of Dumb-Bell Molecules in an LTA Zeolite and in Chabazite
Abstract
Introduction
Simulation Details
Analytical Treatment and Results
Ethane in Cation-Free Zeolite LTA
Ethane and Chlorine in Silicious Chabazite
Conclusions
References

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Recent Advances in the Science and Technology of Zeolites and Related Materials

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