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Assessment of a Metal−Organic Framework Membrane for Gas Separations Using Atomically Detailed Calculations: CO2, CH4, N2, H2 Mixtures in MOF-5
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/adma.200601147openalex-snapshot
Improved SAPO‐34 Membranes for CO2/CH4 Separations
inferredcites →https://doi.org/10.1002/aic.10335openalex-snapshot
Multiscale models of sweep gas and porous support effects on zeolite membranes
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Molecular simulation of separation of CO2 from flue gases in CU‐BTC metal‐organic framework
inferredcites →https://doi.org/10.1002/aic.690110125openalex-snapshot
Thermodynamics of mixed‐gas adsorption
inferredcites →https://doi.org/10.1002/aic.690460412openalex-snapshot
Separation of light gas mixtures using SAPO‐34 membranes
inferredcites →https://doi.org/10.1002/aic.690470914openalex-snapshot
Predicting membrane flux of CH4 and CF4 mixtures in Faujasite from molecular simulations
inferredcites →https://doi.org/10.1002/anie.200300610openalex-snapshot
Functional Porous Coordination Polymers
inferredcites →https://doi.org/10.1002/anie.200502553openalex-snapshot
NMR Studies on the Diffusion of Hydrocarbons on the Metal‐Organic Framework Material MOF‐5
inferredcites →https://doi.org/10.1002/anie.200601746openalex-snapshot
Molecular Dynamics Simulation of Benzene Diffusion in MOF‐5: Importance of Lattice Dynamics
inferredcites →https://doi.org/10.1002/cphc.200600191openalex-snapshot
Electrostatic‐Field‐Induced Enhancement of Gas Mixture Separation in Metal‐Organic Frameworks: A Computational Study
inferredcites →https://doi.org/10.1016/0009-2509(88)80096-4openalex-snapshot
Gas Separation by Adsorption Processes
inferredcites →https://doi.org/10.1016/0255-2701(85)80013-1openalex-snapshot
Principles of adsorption and adsorption processes
inferredcites →https://doi.org/10.1016/0376-7388(91)80060-jopenalex-snapshot
Correlation of separation factor versus permeability for polymeric membranes
inferredcites →https://doi.org/10.1016/j.carbon.2005.01.004openalex-snapshot
Modeling the selectivity of activated carbons for efficient separation of hydrogen and carbon dioxide
inferredcites →https://doi.org/10.1016/j.chemphys.2005.06.003openalex-snapshot
Modelling of hydrogen adsorption in the metal organic framework MOF5
inferredcites →https://doi.org/10.1016/j.cplett.2005.03.073openalex-snapshot
Influence of isotherm inflection on the diffusivities of C5–C8 linear alkanes in MFI zeolite
inferredcites →https://doi.org/10.1016/j.jcis.2007.09.032openalex-snapshot
Permeation models for mixed matrix membranes
inferredcites →https://doi.org/10.1016/j.memsci.2003.08.021openalex-snapshot
Comparing atomistic simulations and experimental measurements for CH4/CF4 mixture permeation through silicalite membranes
inferredcites →https://doi.org/10.1016/j.memsci.2005.06.030openalex-snapshot
Predictions of selectivity and flux for CH4/H2 separations using single walled carbon nanotubes as membranes
inferredcites →https://doi.org/10.1016/j.memsci.2005.10.029openalex-snapshot
Fabrication and characterization of polyimide–zeolite L mixed matrix membranes for gas separations
inferredcites →https://doi.org/10.1016/j.memsci.2008.01.005openalex-snapshot
Gas permeability properties of Matrimid® membranes containing the metal-organic framework Cu–BPY–HFS
inferredcites →https://doi.org/10.1016/j.micromeso.2003.05.001openalex-snapshot
Recent developments in metal–organic framework chemistry: design, discovery, permanent porosity and flexibility
inferredcites →https://doi.org/10.1016/j.micromeso.2004.03.034openalex-snapshot
Metal–organic frameworks: a new class of porous materials
inferredcites →https://doi.org/10.1016/j.micromeso.2005.05.025openalex-snapshot
Entropy effects in adsorption and diffusion of alkane isomers in mordenite: An investigation using CBMC and MD simulations
inferredcites →https://doi.org/10.1016/s0009-2509(03)00304-xopenalex-snapshot
Non-equilibrium molecular dynamics simulation of gas separation in a microporous carbon membrane
inferredcites →https://doi.org/10.1016/s0009-2509(99)00564-3openalex-snapshot
The generalized Maxwell–Stefan model for diffusion in zeolites:
inferredcites →https://doi.org/10.1016/s0376-7388(96)00303-1openalex-snapshot
Permeation through a heterogeneous membrane: the effect of the dispersed phase
inferredcites →https://doi.org/10.1016/s0927-5193(96)x8019-7openalex-snapshot
Inorganic Membranes for Separation and Reaction
inferredcites →https://doi.org/10.1016/s1383-5866(00)00067-8openalex-snapshot
Diffusion of binary mixtures of CF4 and n-alkanes in faujasite
inferredcites →https://doi.org/10.1021/ar0402199openalex-snapshot
Understanding Macroscopic Diffusion of Adsorbed Molecules in Crystalline Nanoporous Materials via Atomistic Simulations
inferredcites →https://doi.org/10.1021/cm052305oopenalex-snapshot
Polysulfone and Mesoporous Molecular Sieve MCM-48 Mixed Matrix Membranes for Gas Separation
inferredcites →https://doi.org/10.1021/ef060578fopenalex-snapshot
Comparative Molecular Simulation Study of Methane Adsorption in Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/ie000301hopenalex-snapshot
Predicting Single-Component Permeance through Macroscopic Zeolite Membranes from Atomistic Simulations
inferredcites →https://doi.org/10.1021/ie010303hopenalex-snapshot
A Comparison of Atomistic Simulations and Experimental Measurements of Light Gas Permeation through Zeolite Membranes
inferredcites →https://doi.org/10.1021/ie800666sopenalex-snapshot
Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal−Organic Framework Materials
inferredcites →https://doi.org/10.1021/ie980721vopenalex-snapshot
Separation of Hexane Isomers through Nonzeolite Pores in ZSM-5 Zeolite Membranes
inferredcites →https://doi.org/10.1021/ie990799ropenalex-snapshot
Factors Controlling Successful Formation of Mixed-Matrix Gas Separation Materials
inferredcites →https://doi.org/10.1021/ie990902copenalex-snapshot
Separation of Gases with an A-Type Zeolite Membrane
inferredcites →https://doi.org/10.1021/j100031a034openalex-snapshot
Carbon Dioxide's Liquid-Vapor Coexistence Curve And Critical Properties as Predicted by a Simple Molecular Model
inferredcites →https://doi.org/10.1021/ja039215+openalex-snapshot
Molecular Dynamics Simulations of Gas Diffusion in Metal−Organic Frameworks: Argon in CuBTC
inferredcites →https://doi.org/10.1021/ja039462dopenalex-snapshot
Rapid Diffusion of CH 4 /H 2 Mixtures in Single-Walled Carbon Nanotubes
inferredcites →https://doi.org/10.1021/ja0570032openalex-snapshot
Metal−Organic Frameworks with Exceptionally High Capacity for Storage of Carbon Dioxide at Room Temperature
inferredcites →https://doi.org/10.1021/ja063506bopenalex-snapshot
The Interaction of Water with MOF-5 Simulated by Molecular Dynamics
inferredcites →https://doi.org/10.1021/ja9933386openalex-snapshot
Highly Porous and Stable Metal−Organic Frameworks: Structure Design and Sorption Properties
inferredcites →https://doi.org/10.1021/jp002866xopenalex-snapshot
Prediction of Permeation Properties of CO2 and N2 through Silicalite via Molecular Simulations
inferredcites →https://doi.org/10.1021/jp013613mopenalex-snapshot
The Diffusion Process of Methane through a Silicalite Single Crystal Membrane
inferredcites →https://doi.org/10.1021/jp0354301openalex-snapshot
Molecular Dynamics Simulations of Self-Diffusivities, Corrected Diffusivities, and Transport Diffusivities of Light Gases in Four Silica Zeolites To Assess Influences of Pore Shape and Connectivity
inferredcites →https://doi.org/10.1021/jp040002wopenalex-snapshot
Surface Resistance to Permeation through the Silicalite Single Crystal Membrane: Variation with Permeant
inferredcites →https://doi.org/10.1021/jp044247kopenalex-snapshot
Predictive Assessment of Surface Resistances in Zeolite Membranes Using Atomically Detailed Models
inferredcites →https://doi.org/10.1021/jp044257lopenalex-snapshot
Diffusion of Alkane Mixtures in Zeolites: Validating the Maxwell−Stefan Formulation Using MD Simulations
inferredcites →https://doi.org/10.1021/jp0477856openalex-snapshot
Assessment of Isoreticular Metal−Organic Frameworks for Adsorption Separations: A Molecular Simulation Study of Methane/n-Butane Mixtures
inferredcites →https://doi.org/10.1021/jp048863sopenalex-snapshot
Nonequilibrium Molecular Dynamics Simulations of Diffusion of Binary Mixtures Containing Short n-Alkanes in Faujasite
inferredcites →https://doi.org/10.1021/jp050948lopenalex-snapshot
Adsorption of Gases in Metal Organic Materials: Comparison of Simulations and Experiments
inferredcites →https://doi.org/10.1021/jp051771yopenalex-snapshot
Self-Diffusion and Transport Diffusion of Light Gases in Metal-Organic Framework Materials Assessed Using Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/jp060433+openalex-snapshot
Effects of Surface Area, Free Volume, and Heat of Adsorption on Hydrogen Uptake in Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/jp062723wopenalex-snapshot
Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/jp063591+openalex-snapshot
Enhancement of Topographic Images Obtained in Liquid Media by Atomic Force Microscopy
inferredcites →https://doi.org/10.1021/jp075290lopenalex-snapshot
Screening Metal−Organic Framework Materials for Membrane-based Methane/Carbon Dioxide Separations
inferredcites →https://doi.org/10.1021/jp802343nopenalex-snapshot
Enhanced Adsorption Selectivity of Hydrogen/Methane Mixtures in Metal−Organic Frameworks with Interpenetration: A Molecular Simulation Study
inferredcites →https://doi.org/10.1021/la000695hopenalex-snapshot
Diffusion of Binary Mixtures in Zeolites: Kinetic Monte Carlo versus Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/la034759aopenalex-snapshot
Correlation Effects in Diffusion of CH4/CF4 Mixtures in MFI Zeolite. A Study Linking MD Simulations with the Maxwell−Stefan Formulation
inferredcites →https://doi.org/10.1021/la0355500openalex-snapshot
Design of New Materials for Methane Storage
inferredcites →https://doi.org/10.1021/la035556popenalex-snapshot
Effects of Molecular Siting and Adsorbent Heterogeneity on the Ideality of Adsorption Equilibria
inferredcites →https://doi.org/10.1021/la062289popenalex-snapshot
Storage and Separation of CO2 and CH4 in Silicalite, C168 Schwarzite, and IRMOF-1: A Comparative Study from Monte Carlo Simulation
inferredcites →https://doi.org/10.1021/la700351copenalex-snapshot
Examining the Accuracy of Ideal Adsorbed Solution Theory without Curve-Fitting Using Transition Matrix Monte Carlo Simulations
inferredcites →https://doi.org/10.1021/la703434sopenalex-snapshot
Diffusion and Separation of CO2 and CH4 in Silicalite, C168 Schwarzite, and IRMOF-1: A Comparative Study from Molecular Dynamics Simulation
inferredcites →https://doi.org/10.1021/la800486fopenalex-snapshot
Testing the Accuracy of Correlations for Multicomponent Mass Transport of Adsorbed Gases in Metal−Organic Frameworks: Diffusion of H2/CH4 Mixtures in CuBTC
inferredcites →https://doi.org/10.1021/ma9814548openalex-snapshot
Basis of Permeability/Selectivity Tradeoff Relations in Polymeric Gas Separation Membranes
inferredcites →https://doi.org/10.1021/nl071414uopenalex-snapshot
Scalable Fabrication of Carbon Nanotube/Polymer Nanocomposite Membranes for High Flux Gas Transport
inferredcites →https://doi.org/10.1038/46248openalex-snapshot
Design and synthesis of an exceptionally stable and highly porous metal-organic framework
inferredcites →https://doi.org/10.1039/b007987lopenalex-snapshot
Molecular simulations of adsorption and siting of light alkanes in silicalite-1
inferredcites →https://doi.org/10.1039/b101982lopenalex-snapshot
Kinetic Monte Carlo simulations of transport diffusivities of binary mixtures in zeolites
inferredcites →https://doi.org/10.1039/b511962fopenalex-snapshot
Metal–organic frameworks—prospective industrial applications
inferredcites →https://doi.org/10.1063/1.1360256openalex-snapshot
Effect of pressure, membrane thickness, and placement of control volumes on the flux of methane through thin silicalite membranes: A dual control volume grand canonical molecular dynamics study
inferredcites →https://doi.org/10.1080/00268970310001654854openalex-snapshot
Molecular modelling of adsorption in novel nanoporous metal–organic materials
inferredcites →https://doi.org/10.1103/physrevlett.100.245901openalex-snapshot
Experimental Evidence Supported by Simulations of a Very High H2 Diffusion in Metal Organic Framework Materials
inferredcites →https://doi.org/10.1103/physrevlett.82.956openalex-snapshot
Quantum Sieving in Carbon Nanotubes and Zeolites
inferredcites →https://doi.org/10.1103/physrevlett.89.185901openalex-snapshot
Rapid Transport of Gases in Carbon Nanotubes
inferredcites →https://doi.org/10.1103/physrevlett.95.215504openalex-snapshot
Direct Observation of Hydrogen Adsorption Sites and Nanocage Formation in Metal-Organic Frameworks
inferredcites →https://doi.org/10.1126/science.1082169openalex-snapshot
Microstructural Optimization of a Zeolite Membrane for Organic Vapor Separation
inferredcites →https://doi.org/10.1126/science.1126298openalex-snapshot
Fast Mass Transport Through Sub-2-Nanometer Carbon Nanotubes
inferredcites →https://doi.org/10.1126/science.1127261openalex-snapshot
Making High-Flux Membranes with Carbon Nanotubes
inferredcites →https://doi.org/10.1126/science.1139915openalex-snapshot
Designed Synthesis of 3D Covalent Organic Frameworks
inferredcites →https://doi.org/10.1142/9789819800926_0009openalex-snapshot
Mass Transfer in Multicomponent Mixtures
inferredcites →https://doi.org/10.1515/revce.2000.16.2.71openalex-snapshot
Modeling of Diffusion in Zeolites
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Metal Organic Frameworks (MOFs)
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Discovery of novel zeolites for natural gas purification through combined material screening and process optimization
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Metal‐organic framework membrane process for high purity CO2 production
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Abscheidung von Kohlendioxid: Perspektiven für neue Materialien
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A Shape‐Persistent Organic Molecular Cage with High Selectivity for the Adsorption of CO 2 over N 2
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Carbon Dioxide Capture: Prospects for New Materials
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A Shape‐Persistent Organic Molecular Cage with High Selectivity for the Adsorption of CO2 over N2
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Can Metal–Organic Framework Materials Play a Useful Role in Large‐Scale Carbon Dioxide Separations?
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Development and Evaluation of Zeolites and Metal–Organic Frameworks for Carbon Dioxide Separation and Capture
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Computational Methods for MOF/Polymer Membranes
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Mixed-gas transport suppression in tertiary-grown M–gallate MOF membranes
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Atomically detailed models of gas mixture diffusion through CuBTC membranes
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Computational study of the effect of organic linkers on natural gas upgrading in metal–organic frameworks
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Metal organic framework mixed matrix membranes for gas separations
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A computational study of the effect of doping metals on CO2/CH4 separation in metal–organic frameworks
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CO2/CH4, CH4/H2 and CO2/CH4/H2 separations at high pressures using Mg2(dobdc)
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Reprint of: CO2/CH4, CH4/H2 and CO2/CH4/H2 separations at high pressures using Mg2(dobdc)
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MOF stability and gas adsorption as a function of exposure to water, humid air, SO2, and NO2
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MOF-derived Co@N-C nanocatalyst for catalytic reduction of 4-nitrophenol to 4-aminophenol
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Nanocomposites formed by in situ growth of NiDOBDC nanoparticles on graphene oxide sheets for enhanced CO2 and H2 storage
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Transport and separation properties of carbon nanotube-mixed matrix membrane
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Opportunities and challenges of MOF-based membranes in gas separations
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Separations of F-gases from nitrogen through thin carbon membranes
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Membranes for helium recovery: An overview on the context, materials and future directions
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Selective adsorption of coalbed methane on multilayer defective graphene nanostructures and their Mn-modified nanostructures: A DFT study
inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c00119openalex-snapshot
MOF-Based Membranes for Gas Separations
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5c00617openalex-snapshot
Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions
inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00626openalex-snapshot
CO 2 Capture and Separations Using MOFs: Computational and Experimental Studies
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.0c03494openalex-snapshot
An Effective Approach to Synthesize High-Performance SSZ-13 Membranes Using the Steam-Assisted Conversion Method for N2/CH4 Separation
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.9b00690openalex-snapshot
Competitive Adsorption and Selective Diffusion of CH4 and the Intruding Gases in Coal Vitrinite
inferred← citeshttps://doi.org/10.1021/acs.iecr.4c00855openalex-snapshot
Combining Interpretable Machine Learning and Molecular Simulation to Advance the Discovery of COF-Based Membranes for Acid Gas Separation
inferred← citeshttps://doi.org/10.1021/acs.iecr.6b01965openalex-snapshot
Pervaporation Separation of Organic Mixtures by MOF-5 Membranes
inferred← citeshttps://doi.org/10.1021/acs.iecr.7b01809openalex-snapshot
Adsorption- and Membrane-Based CH4/N2 Separation Performances of MOFs
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b09136openalex-snapshot
Interfacial Resistance and Length-Dependent Transport Diffusivities in Carbon Nanotubes
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b01925openalex-snapshot
Adsorption and Separation of N 2 /CH 4 /CO 2 /SO 2 Gases in Disordered Carbons Obtained Using Hybrid Reverse Monte Carlo Simulations
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b02707openalex-snapshot
Characteristic Features of CO2 and CO Adsorptions to Paddle-Wheel-type Porous Coordination Polymer
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b09003openalex-snapshot
Selectivity and Desorption Free Energies for Methane–Ethane Mixtures in Covalent Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b05416openalex-snapshot
Computational Screening of Metal–Organic Frameworks for Membrane-Based CO2/N2/H2O Separations: Best Materials for Flue Gas Separation
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b07936openalex-snapshot
Ensemble Learning of Partition Functions for the Prediction of Thermodynamic Properties of Adsorption in Metal–Organic and Covalent Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acsami.2c04016openalex-snapshot
High-Throughput Screening of COF Membranes and COF/Polymer MMMs for Helium Separation and Hydrogen Purification
inferred← citeshttps://doi.org/10.1021/acsami.2c08977openalex-snapshot
Combining Machine Learning and Molecular Simulations to Unlock Gas Separation Potentials of MOF Membranes and MOF/Polymer MMMs
inferred← citeshttps://doi.org/10.1021/acssuschemeng.8b05832openalex-snapshot
Molecular Simulations of MOF Membranes and Performance Predictions of MOF/Polymer Mixed Matrix Membranes for CO2/CH4 Separations
inferred← citeshttps://doi.org/10.1021/am2011349openalex-snapshot
Fluorinated and Nanoporous Graphene Materials As Sorbents for Gas Separations
inferred← citeshttps://doi.org/10.1021/cg200728bopenalex-snapshot
Sonochemical Synthesis and Characterization of Submicrometer Crystals of the Metal–Organic Framework Cu[(hfipbb)(H2hfipbb)0.5]
inferred← citeshttps://doi.org/10.1021/cm5015477openalex-snapshot
Gas Membrane Selectivity Enabled by Zeolitic Imidazolate Framework Electrostatics
inferred← citeshttps://doi.org/10.1021/cr200190sopenalex-snapshot
Metal–Organic Frameworks for Separations
inferred← citeshttps://doi.org/10.1021/cr2003272openalex-snapshot
Carbon Dioxide Capture in Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/cr400005fopenalex-snapshot
Development of Computational Methodologies for Metal–Organic Frameworks and Their Application in Gas Separations
inferred← citeshttps://doi.org/10.1021/cr400237kopenalex-snapshot
Porous Inorganic Membranes for CO 2 Capture: Present and Prospects
inferred← citeshttps://doi.org/10.1021/ie101312kopenalex-snapshot
Biomedical Applications of Metal Organic Frameworks
inferred← citeshttps://doi.org/10.1021/ie200540yopenalex-snapshot
High CO2 Selectivity of A Microporous Metal–Imidazolate Framework: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/ie201885sopenalex-snapshot
Screening Metal–Organic Framework-Based Mixed-Matrix Membranes for CO2/CH4 Separations
inferred← citeshttps://doi.org/10.1021/ie202038mopenalex-snapshot
Current Status of Metal–Organic Framework Membranes for Gas Separations: Promises and Challenges
inferred← citeshttps://doi.org/10.1021/ie202530fopenalex-snapshot
Atomically Detailed Models for Transport of Gas Mixtures in ZIF Membranes and ZIF/Polymer Composite Membranes
inferred← citeshttps://doi.org/10.1021/ie300766sopenalex-snapshot
Atomically Detailed Modeling of Metal Organic Frameworks for Adsorption, Diffusion, and Separation of Noble Gas Mixtures
inferred← citeshttps://doi.org/10.1021/ie303343mopenalex-snapshot
High CO2 Selectivity of an Amine-Functionalized Metal Organic Framework in Adsorption-Based and Membrane-Based Gas Separations
inferred← citeshttps://doi.org/10.1021/ie501040sopenalex-snapshot
Preparation and Adsorption Performance of GrO@Cu-BTC for Separation of CO2/CH4
inferred← citeshttps://doi.org/10.1021/ja1023699openalex-snapshot
Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations
inferred← citeshttps://doi.org/10.1021/ja110846copenalex-snapshot
Highly CO2-Selective Organic Molecular Cages: What Determines the CO2 Selectivity
inferred← citeshttps://doi.org/10.1021/ja206525xopenalex-snapshot
Strong and Reversible Binding of Carbon Dioxide in a Green Metal–Organic Framework
inferred← citeshttps://doi.org/10.1021/ja901061jopenalex-snapshot
Unprecedentedly High Selective Adsorption of Gas Mixtures in rho Zeolite-like Metal−Organic Framework: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/ja903411wopenalex-snapshot
Strong CO2 Binding in a Water-Stable, Triazolate-Bridged Metal−Organic Framework Functionalized with Ethylenediamine
inferred← citeshttps://doi.org/10.1021/ja909263xopenalex-snapshot
Highly Permeable Zeolite Imidazolate Framework-8 Membranes for CO2/CH4 Separation
inferred← citeshttps://doi.org/10.1021/jacs.7b13330openalex-snapshot
Structure and Dynamics of Zr6O8 Metal–Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test Reaction
inferred← citeshttps://doi.org/10.1021/jp102409aopenalex-snapshot
Estimation of Framework Charges in Covalent Organic Frameworks Using Connectivity-Based Atom Contribution Method
inferred← citeshttps://doi.org/10.1021/jp102881eopenalex-snapshot
Molecular Simulation Study of CH4/H2 Mixture Separations Using Metal Organic Framework Membranes and Composites
inferred← citeshttps://doi.org/10.1021/jp1033273openalex-snapshot
Molecular Understanding for the Adsorption of Water and Alcohols in Hydrophilic and Hydrophobic Zeolitic Metal−Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jp109743eopenalex-snapshot
Atomistic Simulations for Adsorption, Diffusion, and Separation of Gas Mixtures in Zeolite Imidazolate Frameworks
inferred← citeshttps://doi.org/10.1021/jp1101835openalex-snapshot
Enhancement of CO2/N2 Mixture Separation Using the Thermodynamic Stepped Behavior of Adsorption in Metal−Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jp201075uopenalex-snapshot
Accurate Treatment of Electrostatics during Molecular Adsorption in Nanoporous Crystals without Assigning Point Charges to Framework Atoms
inferred← citeshttps://doi.org/10.1021/jp209804xopenalex-snapshot
Adsorption, Diffusion, and Separation of CH4/H2 Mixtures in Covalent Organic Frameworks: Molecular Simulations and Theoretical Predictions
inferred← citeshttps://doi.org/10.1021/jp312590ropenalex-snapshot
Tunable CO2 Adsorbents by Mixed-Linker Synthesis and Postsynthetic Modification of Zeolitic Imidazolate Frameworks
inferred← citeshttps://doi.org/10.1021/jp403225topenalex-snapshot
Diffusion of Binary CO2/CH4 Mixtures in the MIL-47(V) and MIL-53(Cr) Metal–Organic Framework Type Solids: A Combination of Neutron Scattering Measurements and Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1021/jp512275popenalex-snapshot
Diffusion and Separation of H 2 , CH 4 , CO 2 , and N 2 in Diamond-Like Frameworks
inferred← citeshttps://doi.org/10.1021/jp901988eopenalex-snapshot
A Predictive Model of Hydrogen Sorption for Metal−Organic Materials
inferred← citeshttps://doi.org/10.1021/jp910522hopenalex-snapshot
A General Approach for Estimating Framework Charges in Metal−Organic Frameworks
inferred← citeshttps://doi.org/10.1021/la100509gopenalex-snapshot
Highly Porous Ionic rht Metal−Organic Framework for H2 and CO2 Storage and Separation: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/la301915sopenalex-snapshot
Accelerating Applications of Metal–Organic Frameworks for Gas Adsorption and Separation by Computational Screening of Materials
inferred← citeshttps://doi.org/10.1021/la901438xopenalex-snapshot
Efficient Methods for Screening of Metal Organic Framework Membranes for Gas Separations Using Atomically Detailed Models
inferred← citeshttps://doi.org/10.1021/la903643fopenalex-snapshot
Studies of Capillary Phase Transitions of Methane in Metal−Organic Frameworks by Gauge Cell Monte Carlo Simulation
inferred← citeshttps://doi.org/10.1021/la904895yopenalex-snapshot
Highlighting a Variety of Unusual Characteristics of Adsorption and Diffusion in Microporous Materials Induced by Clustering of Guest Molecules
inferred← citeshttps://doi.org/10.1039/b817050aopenalex-snapshot
Membrane-based technologies for biogas separations
inferred← citeshttps://doi.org/10.1039/b909861eopenalex-snapshot
Upgrade of natural gas in rho zeolite-like metal–organic framework and effect of water: a computational study
inferred← citeshttps://doi.org/10.1039/b911242aopenalex-snapshot
Application of metal–organic frameworks with coordinatively unsaturated metal sites in storage and separation of methane and carbon dioxide
inferred← citeshttps://doi.org/10.1039/b918254nopenalex-snapshot
Computational identification of a metal organic framework for high selectivity membrane-based CO2/CH4 separations: Cu(hfipbb)(H2hfipbb)0.5
inferred← citeshttps://doi.org/10.1039/b923980bopenalex-snapshot
Selecting metal organic frameworks as enabling materials in mixed matrix membranes for high efficiency natural gas purification
inferred← citeshttps://doi.org/10.1039/c0jm01045fopenalex-snapshot
Understanding gas separation in metal–organic frameworks using computer modeling
inferred← citeshttps://doi.org/10.1039/c1jm10264hopenalex-snapshot
Computer simulations for the adsorption and separation of CO2/CH4/H2/N2 gases by UMCM-1 and UMCM-2 metal organic frameworks
inferred← citeshttps://doi.org/10.1039/c2cp41344bopenalex-snapshot
Novel characterization of the adsorption sites in large pore metal–organic frameworks: combination of X-ray powder diffraction and thermal desorption spectroscopy
inferred← citeshttps://doi.org/10.1039/c2dt31550eopenalex-snapshot
Metal–organic frameworks in mixed-matrix membranes for gas separation
inferred← citeshttps://doi.org/10.1039/c2ra01239aopenalex-snapshot
Metal–organic frameworks and related materials for hydrogen purification: Interplay of pore size and pore wall polarity
inferred← citeshttps://doi.org/10.1039/c5ta00959fopenalex-snapshot
Enhancing the hydrostability and catalytic performance of metal–organic frameworks by hybridizing with attapulgite, a natural clay
inferred← citeshttps://doi.org/10.1039/c7cp00199aopenalex-snapshot
Sizable dynamics in small pores: CO 2 location and motion in the α-Mg formate metal–organic framework
inferred← citeshttps://doi.org/10.1039/c7cp03270fopenalex-snapshot
Extremely permeable porous graphene with high H 2 /CO 2 separation ability achieved by graphene surface rejection
inferred← citeshttps://doi.org/10.1039/d0re00416bopenalex-snapshot
Computational modelling of adsorption and diffusion properties of CO 2 and CH 4 in ZIF-8 for gas separation applications: a density functional theory approach
inferred← citeshttps://doi.org/10.1039/d0ta04574hopenalex-snapshot
Can COFs replace MOFs in flue gas separation? high-throughput computational screening of COFs for CO 2 /N 2 separation
inferred← citeshttps://doi.org/10.1063/1.3479041openalex-snapshot
Molecular chemisorption on open metal sites in Cu3(benzenetricarboxylate)2: A spatially periodic density functional theory study
inferred← citeshttps://doi.org/10.1080/01496395.2011.557026openalex-snapshot
Role of Temperature in the Structure of Zn(II)-1,4,-BDC Metal-Organic Frameworks and their Adsorption and Diffusion Properties for Carbon Dioxide
inferred← citeshttps://doi.org/10.1080/08927022.2013.829219openalex-snapshot
Effects of electrostatic interactions on gas adsorption and permeability of MOF membranes
inferred← citeshttps://doi.org/10.1134/s0965544124602308openalex-snapshot
Challenging Synthesis of High-Selectivity MOF-5 Crystals for Separation of CO2/N2 and CO2/CH4
inferred← citeshttps://doi.org/10.1201/b18039-10openalex-snapshot
Modeling of Zeolitic-Like Hybrid Materials for Gas Separation
inferred← citeshttps://doi.org/10.1201/b18039-11openalex-snapshot
Modeling Adsorptive Separations Using Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1201/b18039-8openalex-snapshot
Molecular Modeling of Gas Separation in Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1201/b18039-9openalex-snapshot
Molecular Modeling of Metal–Organic Frameworks for Carbon Dioxide Separation Applications
inferred← citeshttps://doi.org/10.21203/rs.3.rs-974735/v1openalex-snapshot
Synthesis and Physicochemical Properties of Polyamideimide Membranes Containing ZIF-8 and CMS Particles for Potential Gas Separation Applications
inferred← citeshttps://doi.org/10.3390/en81011531openalex-snapshot
Molecular Simulation Studies of Flue Gas Purification by Bio-MOF
inferred← citeshttps://doi.org/10.3390/membranes5010099openalex-snapshot
In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1
inferred← citeshttps://doi.org/10.3390/nano15030208openalex-snapshot
Microporous Adsorbents for CH4 Capture and Separation from Coalbed Methane with Low CH4 Concentration: Review
inferred← citeshttps://doi.org/10.5772/35925openalex-snapshot
Recent Advances in Molecular Dynamics Simulations of Gas Diffusion in Metal Organic Frameworks
inferred← citeshttps://doi.org/10.5772/64226openalex-snapshot
Molecular Simulations for Adsorption-Based CO2 Separation Using Metal Organic Frameworks
inferred← citeshttps://doi.org/10.70675/f8dbaf1azb03fz4da6z8d3czde4f43676ae9openalex-snapshot
Relation entre structure et texture de matériaux poreux et l'évaluation de leurs propriétés de piégeage du CO2
inferred← citeshttps://doi.org/10.7464/ksct.2012.18.4.360openalex-snapshot
Influence of Temperature on Separation of CO and H2Mixed Gas Using Polyamide Composite Membrane
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