4.4 Review

Adsorption onto zeolites: molecular perspective

Related references

Note: Only part of the references are listed.
Review Materials Science, Multidisciplinary

Electrospinning for tissue engineering applications

Maryam Rahmati et al.

Summary: Tissue engineering utilizes principles from medicine, biology, and engineering to design biological substitutes for tissue regeneration and maintenance. Electrospinning is a valuable technique for creating biomimetic scaffolds, with a wide range of applications in biomedical fields. Various research efforts have focused on improving cell interactions with the nano fibrous surface and addressing challenges in using electrospinning for tissue engineering and regenerative medicine.

PROGRESS IN MATERIALS SCIENCE (2021)

Article Chemistry, Physical

Synthesis of Cost-Effective Hierarchical MFI-Type Mesoporous Zeolite: Introducing Diatomite as Silica Source

Morteza Servatan et al.

Summary: In this study, high crystallinity ZSM-5 zeolite was synthesized using diatomite from a mine in north-west of Iran as a local silica source. The hydrothermal transformation produced hierarchical ZSM-5 hexagonal crystals, and the effect of Si/Al ratio on crystallinity was investigated. The synthesized zeolites showed strong acid sites and narrow pore size distribution, making them excellent catalysts for methanol to gasoline conversion.

SILICON (2021)

Article Environmental Sciences

Efficient removal of dyes and proteins by nitrogen-doped porous graphene blended polyethersulfone nanocomposite membranes

Vahid Vatanpour et al.

Summary: Nitrogen-doped porous graphene oxide was successfully used as a hydrophilic nanomaterial in the fabrication of polyethersulfone membranes, showing improved permeation properties and rejection efficiency for protein and dye separation. The hybrid membranes have great potential for applications in antifouling protein and dye separation.

CHEMOSPHERE (2021)

Article Biochemistry & Molecular Biology

Atomic simulation of adsorption of SO2 pollutant by metal (Zn, Be)-oxide and Ni-decorated graphene: a first-principles study

Zohre Karami et al.

Summary: This study compared the adsorption of SO2 molecules on different structures through first-principle calculations, and found that Ni-decorated graphene showed superior chemisorption for SO2 molecules.

JOURNAL OF MOLECULAR MODELING (2021)

Article Chemistry, Physical

Lead adsorption onto Ni- and Pt-decorated nano γ-alumina: A first-principles study

Zohre Karami et al.

Summary: A computational study using density functional theory was conducted to investigate the adsorption of lead on two surface decorated alumina nanostructures, demonstrating the superior lead removal capability of decorated gamma-alumina surfaces. Adsorption energy calculations showed enhanced binding energy for Ni- and Pt-decorated nano gamma-alumina, indicating a potential chemisorption process for lead removal.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Chemistry, Applied

A theoretical probe into the effects of material and operational variables on water purification with zeolite membranes

Seyed Soroush Mousavi Khadem et al.

Summary: This study simulated the effects of different Si/Al ratios and pressures on zeolite membrane water purification, finding that increasing pressure enhances water and ion flux through the membrane, especially at low Si/Al ratios. MFI membrane had the highest rejection rate, while LTA membrane exhibited the highest water flux. Van der Waals patterns indicated heavy metal ions trapped in zeolite.

MICROPOROUS AND MESOPOROUS MATERIALS (2021)

Article Engineering, Environmental

Is one performing the treatment data of adsorption kinetics correctly?

Eder C. Lima et al.

Summary: The linearized PSO model is often found to better fit adsorption kinetics data compared to the linearized PFO model, based on the values of adsorption capacity at equilibrium and coefficient of determination. However, nonlinear fitting may lead to erroneous decisions.

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING (2021)

Review Biochemistry & Molecular Biology

From microporous to mesoporous mineral frameworks: An alliance between zeolite and chitosan

Ghader Mahmodi et al.

CARBOHYDRATE RESEARCH (2020)

Review Pharmacology & Pharmacy

Zeolites in drug delivery: Progress, challenges and opportunities

Morteza Servatan et al.

DRUG DISCOVERY TODAY (2020)

Article Engineering, Chemical

Molecular dynamics simulation of water purification using zeolite MFI nanosheets

Seyed Moein Rassoulinejad-Mousavi et al.

SEPARATION AND PURIFICATION TECHNOLOGY (2020)

Article Biochemistry & Molecular Biology

Adsorption of hazardous atoms on the surface of TON zeolite and bilayer silica: a DFT study

A. Shahmoradi et al.

JOURNAL OF MOLECULAR MODELING (2020)

Article Crystallography

Alkaline Activation of Kaolin Group Minerals

Oliwia Biel et al.

CRYSTALS (2020)

Article Biochemistry & Molecular Biology

Electroactive poly (p-phenylene sulfide)/r-graphene oxide/chitosan as a novel potential candidate for tissue engineering

Reza Khalili et al.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2020)

Editorial Material Crystallography

Natural vs. Synthetic Zeolites

Magdalena Krol

CRYSTALS (2020)

Article Chemistry, Multidisciplinary

Removal of methylmercaptan pollution using Ni and Pt-decorated graphene: an ab-initio DFT study

A. Shahmoradi et al.

JOURNAL OF SULFUR CHEMISTRY (2020)

Article Engineering, Chemical

NaA zeolite-coated meshes with tunable hydrophilicity for oil-water separation

Ghader Mahmodi et al.

SEPARATION AND PURIFICATION TECHNOLOGY (2020)

Article Materials Science, Multidisciplinary

New Insights into H2S Adsorption on Graphene and Graphene-Like Structures: A Comparative DFT Study

Azam Salmankhani et al.

C-JOURNAL OF CARBON RESEARCH (2020)

Review Medicine, Research & Experimental

Zeolite in tissue engineering: Opportunities and challenges

Payam Zarrintaj et al.

MEDCOMM (2020)

Review Materials Science, Biomaterials

Zeolites for theranostic applications

Mohsen Khodadadi Yazdi et al.

JOURNAL OF MATERIALS CHEMISTRY B (2020)

Article Chemistry, Multidisciplinary

A theoretical and industrial study of component co-adsorption on 3A zeolite: an industrial case

Lotfolah Jafari et al.

CHEMICAL PAPERS (2020)

Article Chemistry, Physical

Restructuring of MFI Framework Zeolite Models and Their Associated Artifacts in Density Functional Theory Calculations

Alexander Hoffman et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Article Chemistry, Inorganic & Nuclear

DFT studies of single and multiple molecular adsorption of CH4, SF6 and H2O in Zeolitic-Imidazolate Framework (ZIF-4 and ZIF-6)

N. El Houda Bensiradj et al.

INORGANICA CHIMICA ACTA (2019)

Article Biochemical Research Methods

Carbon dioxide adsorption on a modified zeolite with sodium dodecyl sulfate surfactants: A molecular dynamics study

Minerva Valencia-Ortega et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2019)

Article Chemistry, Applied

Bridging the gap between diffusivities from experiment and molecular dynamics: n-hexane and 2,2-dimethyl butane in zeolite BEA

Angela Mary Thomas et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2019)

Article Materials Science, Multidisciplinary

Computational procedure to an accurate DFT simulation to solid state systems

Eduardo O. Gomes et al.

COMPUTATIONAL MATERIALS SCIENCE (2019)

Article Polymer Science

Intelligent Monte Carlo: A New Paradigm for Inverse Polymerization Engineering

Yousef Mohammadi et al.

MACROMOLECULAR THEORY AND SIMULATIONS (2018)

Review Materials Science, Biomaterials

Applications of zeolites in biotechnology and medicine - a review

Lucie Bacakova et al.

BIOMATERIALS SCIENCE (2018)

Article Materials Science, Multidisciplinary

DFT study of Ni, Cu, Cd and Ag heavy metal atom adsorption onto the surface of the zinc-oxide nanotube and zinc-oxide graphene-like structure

A. Hamed Mashhadzadeh et al.

MATERIALS CHEMISTRY AND PHYSICS (2018)

Article Nanoscience & Nanotechnology

Density functional theory study of adsorption properties of non-carbon, carbon and functionalized graphene surfaces towards the zinc and lead atoms

A. Hamed Mashhadzadeh et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2018)

Proceedings Paper Materials Science, Multidisciplinary

Zeolite-based catalysts for exergy efficiency enhancement: The insights gained from nanotechnology

Morteza Servatan et al.

MATERIALS TODAY-PROCEEDINGS (2018)

Article Chemistry, Physical

Diffusion of Biomass Pyrolysis Products in H-ZSM-5 by Molecular Dynamics Simulations

Lintao Bu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Article Chemistry, Physical

Hexane Isomers in Faujasite: Anomalous Diffusion and Kinetic Separation

Angela Mary Thomas et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Article Chemistry, Physical

Atomistic Understanding of Zeolite Nanosheets for Water Desalination

Seyed Hossein Jamali et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Article Chemistry, Applied

Applications of molecular simulations for separation and adsorption in zeolites

Amira Abdelrasoul et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2017)

Article Chemistry, Applied

Evaluation of volatile iodine trapping in presence of contaminants: A periodic DFT study on cation exchanged-faujasite

Mouheb Chebbi et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2017)

Article Chemistry, Physical

A DFT study of hydrogen adsorption on Be, Mg and Ca frameworks in erionite zeolite

Mehmet Ferdi Fellah

APPLIED SURFACE SCIENCE (2017)

Article Nanoscience & Nanotechnology

Seawater Pervaporation through Zeolitic Imidazolate Framework Membranes: Atomistic Simulation Study

Krishna M. Gupta et al.

ACS APPLIED MATERIALS & INTERFACES (2016)

Article Chemistry, Multidisciplinary

Understanding Diffusion in Hierarchical Zeolites with House-of-Cards Nanosheets

Peng Bai et al.

ACS NANO (2016)

Article Engineering, Chemical

Self Diffusivity of n-Dodecane and Benzothiophene in ZSM-5 Zeolites. Its Significance for a New Catalytic Light Diesel Desulfurization Process

Maria L. Ferreira et al.

INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING (2016)

Article Chemistry, Physical

Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H-ZSM-5

Konstantinos Alexopoulos et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Chemistry, Applied

Synthesis of zeolite Y from diatomite as silica source

Gustavo Garcia et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2016)

Article Physics, Condensed Matter

Investigation of heavy metal atoms adsorption onto graphene and graphdiyne surface: A density functional theory study

A. Hamed Mashhadzadeh et al.

SUPERLATTICES AND MICROSTRUCTURES (2016)

Article Engineering, Chemical

Self Diffusivity of n-Dodecane and Benzothiophene in ZSM-5 Zeolites. Its Significance for a New Catalytic Light Diesel Desulfurization Process

Maria L. Ferreira et al.

INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING (2016)

Article Chemistry, Multidisciplinary

Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics

Kristof De Wispelaere et al.

CHEMISTRY-A EUROPEAN JOURNAL (2015)

Article Chemistry, Physical

Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites

An Ghysels et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Engineering, Chemical

Factorial design analysis for optimizing the removal of cesium and strontium ions on synthetic nano-sized zeolite

O. A. Abdel Moamen et al.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS (2015)

Article Chemistry, Physical

Adsorption of CO2 and N-2 in Na-ZSM-5: effects of Na+ and Al content studied by Grand Canonical Monte Carlo simulations and experiments

David Newsome et al.

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY (2014)

Article Engineering, Chemical

The evolutionary development of chain microstructure during tandem polymerization of ethylene: A Monte Carlo simulation study

Mohammad Mehdi Khorasani et al.

CHEMICAL ENGINEERING SCIENCE (2014)

Article Engineering, Chemical

Thermodynamic analysis of molecular simulations of CO2 and CH4 adsorption in FAU zeolites

Junfang Zhang et al.

CHEMICAL ENGINEERING SCIENCE (2014)

Article Chemistry, Physical

Experimental and molecular simulation studies of CO2 adsorption on zeolitic imidazolate frameworks: ZIF-8 and amine-modified ZIF-8

Defei Liu et al.

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY (2013)

Article Chemistry, Physical

Adsorption and Diffusion of Small Alcohols in Zeolitic Imidazolate Frameworks ZIF-8 and ZIF-90

Jason A. Gee et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2013)

Article Chemistry, Multidisciplinary

Advances in nanosized zeolites

Svetlana Mintova et al.

NANOSCALE (2013)

Article Engineering, Environmental

Anionic dye removal from aqueous solutions using modified zeolite: Adsorption kinetics and isotherm studies

Erol Alver et al.

CHEMICAL ENGINEERING JOURNAL (2012)

Article Chemistry, Physical

Influence of Zeolite Surface in the Sorption of Methane from Molecular Dynamics

Aldo F. Combariza et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

Article Chemistry, Applied

H2S adsorption by Ag and Cu ion exchanged faujasites

Parveen Kumar et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2011)

Article Chemistry, Applied

Water dynamics in chabazite

R. Chanajaree et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2011)

Review Chemistry, Multidisciplinary

Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks

Anh Phan et al.

ACCOUNTS OF CHEMICAL RESEARCH (2010)

Article Chemistry, Physical

Performance of Chiral Zeolites for Enantiomeric Separation Revealed by Molecular Simulation

J. M. Castillo et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

Article Chemistry, Physical

Theoretical study of the adsorption of C1-C4 primary alcohols in H-ZSM-5

Cuong M. Nguyen et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Nitrogen adsorption on nanoporous zeolites studied by Grand Canonical Monte Carlo simulation

Mahmoud Rahmati et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)

Article Chemistry, Multidisciplinary

Molecular Simulations of Water and Paracresol in MFI Zeolite - A Monte Carlo Study

L. Narasimhan et al.

LANGMUIR (2009)

Article Engineering, Environmental

Hydrogen sulphide removal from biogas by zeolite adsorption Part I. GCMC molecular simulations

Paolo Cosoli et al.

CHEMICAL ENGINEERING JOURNAL (2008)

Article Chemistry, Physical

Hydrogen uptake in palladium and ruthenium exchanged zeolite X

K. P. Prasanth et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2008)

Article Engineering, Chemical

Separating n-alkane mixtures by exploiting differences in the adsorption capacity within cages of CHA, AFX and ERI zeolites

R. Krishna et al.

SEPARATION AND PURIFICATION TECHNOLOGY (2008)

Article Chemistry, Applied

Molecular simulation of hydrogen adsorption in organic zeolite

Mee Kyung Song et al.

CATALYSIS TODAY (2007)

Article Engineering, Chemical

Molecular simulation of propane-propylene binary adsorption equilibrium in zeolite 4A

Miguel A. Granato et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2007)

Article Engineering, Environmental

Grand Canonical Monte-Carlo simulations for VOCs adsorption in non-polar zeolites

Paolo Cosoli et al.

INTERNATIONAL JOURNAL OF ENVIRONMENTAL TECHNOLOGY AND MANAGEMENT (2007)

Review Chemistry, Physical

Loading dependence of the diffusion coefficient of methane in nanoporous materials

E. Beerdsen et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Chemistry, Physical

Gibbs ensemble monte carlo simulation of supercritical CO2 adsorption on NaA and NaX zeolites

Shanshan Liu et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Engineering, Environmental

Zeolite synthesis from paper sludge ash at low temperature (90 °C) with addition of diatomite

Takaaki Wajima et al.

JOURNAL OF HAZARDOUS MATERIALS (2006)

Article Chemistry, Applied

Molecular dynamics simulations of the adsorption and diffusion behavior of pure and mixed alkanes in silicalite

I Hussain et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2005)

Review Chemistry, Applied

The hydrothermal synthesis of zeolites: Precursors, intermediates and reaction mechanism

CS Cundy et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2005)

Article Chemistry, Applied

Exchange diffusion of Cu2+, Ni2+, Pb2+ and Zn2+ into analcime synthesized from perlite

A Dyer et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2004)

Article Chemistry, Physical

DFT and local reactivity descriptor studies on the nitrogen sorption selectivity from air by sodium and calcium exchanged zeolite-A

KRS Chandrakumar et al.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2002)

Article Materials Science, Multidisciplinary

Synthesis of sodium zeolites from a natural halloysite

AF Gualtieri

PHYSICS AND CHEMISTRY OF MINERALS (2001)

Review Materials Science, Multidisciplinary

Monte Carlo simulations in zeolites

B Smit et al.

CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE (2001)

Article Chemistry, Physical

Effect of the surface energy barrier on sorbate diffusion in AlPO4-5

G Arya et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2001)

Article Chemistry, Physical

Modelling gas adsorption in slit-pores using Monte Carlo simulation

MB Sweatman et al.

MOLECULAR SIMULATION (2001)

Article Chemistry, Physical

Zeolites and catalysis

J Weitkamp

SOLID STATE IONICS (2000)