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RESEARCH PAPER · Current Opinion in Chemical Engineering · 2019

Gas separation by adsorption: technological drivers and opportunities for improvement

Pluton Pullumbi, Federico Brandani, Stefano Brandani

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Gas separation by adsorption: technological drivers and opportunities for improvementOriginalThe Role of Molecular Modeling & Simulation in the Discovery and Deployment of Metal-Organic Frameworks for Gas Storage and Separation0Editorial overview: Separations engineering: advances in adsorption0The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation123Machine Learning-Based Multiobjective Optimization of Pressure Swing Adsorption134How Well Do Approximate Models of Adsorption-Based CO2 Capture Processes Predict Results of Detailed Process Models?60Tests to Ensure the Minimum Methane Concentration for Gas Engines to Limit Atmospheric Emissions14Buckybowls as gas adsorbents: binding of gaseous pollutants and their electric-field induced release6Molecular dynamics simulation of carbon dioxide diffusion in NaA zeolite: assessment of surface effects and evaluation of bulk-like properties13Striking dual functionality of a novel Pd@Eu-MOF nanocatalyst in C(sp 2 )–C(sp 2 ) bond-forming and CO 2 fixation reactions27The effects of cell density and intrinsic porosity on structural properties and adsorption kinetics in 3D-printed zeolite monoliths87Entropy and Random Walk Trails Water Confinement and Non-Thermal Equilibrium in Photon-Induced Nanocavities4Engineering metal–organic frameworks for adsorption-based gas separations: from process to atomic scale64The development of a comprehensive toolbox based on multi-level, high-throughput screening of MOFs for CO/N 2 separations16Thermodynamic exploration of xenon/krypton separation based on a high-throughput screening16Extracting adsorbate information from manometric uptake measurements of hydrogen at high pressure and ambient temperature5Characterization of Nanoporous Materials81Capture and Reuse of Carbon Dioxide (CO2) for a Plastics Circular Economy: A Review92Understanding the Effect of Water on CO 2 Adsorption523Enhancement of gas storage and separation properties of microporous polymers by simple chemical modifications12Macrophytes as wastewater treatment agents: Nutrient uptake and potential of produced biomass utilization toward circular economy initiatives160Assessment of CO2/CH4 Separation Performance of 3D-Printed Carbon Monoliths in Pressure Swing Adsorption37On-site hydrogen production using heavy naphtha by maximizing the hydrogen output of a membrane reactor system13Natural gas dehydration by adsorption using MOFs and silicas: A review64Lanthanum- Oligopyrrole Complexes (neutral, III) for biogas capture applications by DFT0Thermodynamics of methane adsorption on carbon adsorbent prepared from mineral coal16Rapid synthesis of AlPO-18 molecular sieve for gas separation with dual-template agent13A review of the features and applications of ZIF-8 and its derivatives for separating CO2 and isomers of C3- and C4- hydrocarbons210Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization26Versatile monometallic coordination polymers constructed from 4,4′-thiobis(methylene)bibenzoic acid and 1,10-phenanthroline. Synthesis, structure, magnetic and luminescence properties3DFT calculations for adsorption of H2S and other natural gas compounds on (Fe, Co, Ni, Cu and Zn)–Y zeolite clusters30A short review on pressure swing adsorption (PSA) technology for nitrogen generation from air11Efficient separation of 1,3‐butadiene from C4 hydrocarbons by flexible metal–organic framework with gate‐opening effect36MOF adsorbents for flue gas separation: Comparison of material ranking approaches22Marrying Materials and Processes: A Superstructure Inspired Optimization Approach For Pressure Swing Adsorption Based Carbon Dioxide Capture Processes2Experimental validation of an adsorbent-agnostic artificial neural network (ANN) framework for the design and optimization of cyclic adsorption processes26Deformation of Microporous Carbon Adsorbent Sorbonorit-4 during Methane Adsorption29Investigation of water kinetics in zeolite Linde‐Type‐A crystals by a concentration‐swing frequency response8Sustainable design and analysis for helium extraction from sale gas in liquefied natural gas production28Integrated metal‐organic framework ( MOF ) and pressure/vacuum swing adsorption process design: MOF matching24A neural recommender system for efficient adsorbent screening7Simultaneous Estimation of Gas Adsorption Equilibria and Kinetics of Individual Shaped Adsorbents20An ultra-permeable hybrid Mg-MOF-74-Melamine sponge composite for fast dynamic gas separation12Highlighting the Importance of Characterization Techniques Employed in Adsorption Using Metal–Organic Frameworks for Water Treatment26An initial evaluation of the thermodynamic or kinetic separation performance of cation-exchanged LTA zeolites for mixtures of propane and propylene11Etude des propriétés d'absorption de nouveaux absorbants innovants à base de matériaux hybrides poreux : application à la séparation de gaz0Multi-Compound H2, CH4, and N2 Adsorption Analysis1A multi-faceted structural, thermodynamic, and spectroscopic approach for investigating ethanol dehydration over transition phase aluminas4Efficient SO2 capture using an amine-functionalized, nanocrystalline cellulose-based adsorbent31A Cfd Study on Scaling Up a Single Flat Membrane Reactor for On-Site Hydrogen Production0Cooperative CO 2 adsorption mechanism in a perfluorinated Ce IV -based metal organic framework43A study of kinetic air separation at low temperatures: Oxygen, nitrogen, and argon in carbon molecular sieve13Carbon dioxide separation and capture by adsorption: a review275Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities10RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models51High-Performance Carbon Molecular Sieve Membrane Derived from a Crown Ether-Containing Co-Polyimide Precursor for Gas Separation22Modeling of CO2 absorption in a membrane contactor containing 3-diethylaminopropylamine (DEAPA) solvent21The Difference in Performance and Compatibility between Crystalline and Amorphous Fillers in Mixed Matrix Membranes for Gas Separation (MMMs)26Simulation of temperature swing adsorption process to purify hydrogen for fuel cell uses by SAPO34 as adsorbent13The Enhancement of CO2 and CH4 Capture on Activated Carbon with Different Degrees of Burn-Off and Surface Chemistry26ZIF-8-based dual layer hollow fiber mixed matrix membrane for natural gas purification16A parametric computational-fluid-dynamics study on improving the performance of a flat membrane reactor for on-site hydrogen production4The preparation and adsorption performance of Co-doped MIL-101(Cr) for low-concentration C3F815Assessing BeO, MgO, and CaO nanocages for a facile detection of hazardous phosgene oxime along with DFT calculations9A Route to Understanding the Ethane Adsorption Selectivity of the Zeolitic Imidazolate Framework-8 in Ethane–Ethylene Mixtures1Pilot-scale fabrication, separation performance and field test of tubular SSZ-13 membranes for efficient CO2 separation20A computational-fluid-dynamics study on scaling up a single flat membrane reactor for on-site hydrogen production2Abordagens de aprendizado de máquina para prever o equilíbrio de adsorção de gases leves em zeólitas, carvões ativados e redes metalorgânicas0Membranes for CO2 capture and separation: Progress in research and development for industrial applications217Scaling up 3D printed hybrid sorbents towards (cost) effective post-combustion CO2 capture: A multiscale study15Marrying Materials and Processes: A Unified Optimization for Adsorption Processes8Computer-aided molecular refrigerant design for adsorption chillers based on classical density functional theory and PC-SAFT9High-throughput computational screening of MOF adsorbents for efficient propane capture from air and natural gas mixtures14Vacancy solution model using the aNRTL activity coefficient for prediction of binary adsorption equilibria4Machine Learning and IAST-Aided High-Throughput Screening of Cationic and Silica Zeolites for Alkane Capture, Storage, and Separations9Ion-exchanged commercial-zeolites for O2 production and CO2 capture by swing adsorption technology: a brief review13Enhancing Desorption Performance of a Compressible Hybrid Structured Adsorbent via Localized Magnetic Induction Heating4A design study on a flat membrane-reactor stack for on-site hydrogen production4Adapted thermodynamical model for the prediction of adsorption in nanoporous materials14Solvent-vapor-triggered crystallization of a ZIF-90 membrane with versatile separation properties towards light hydrocarbons8Adsorption Modeling Based on Classical Density Functional Theory and PC-SAFT: Temperature Extrapolation and Fluid Transfer13Module-based machine learning models using sigma profiles of organic linkers to predict gaseous adsorption in metal-organic frameworks20The effect of adsorbent shaping on the equilibrium and kinetic CO2 adsorption properties of ZIF-822Separation of C6 hydrocarbons on sodium dithionite reduced graphene oxide aerogels3Investigation of the effect of dead volume on the shape of breakthrough curve – New method designed to correct this effect0Size-dependent guest-memory switching of the flexible and robust adsorption characteristics of layered metal-organic frameworks15Biogas Refining: A Review on Advances in Metal-Oxide-Modified Activated Carbon for H 2 S and CO 2 Removal31Innovation of Gas Separation Processes: Integrating Computational MOF Design and Adsorption Process Optimization1Screening of pure silica zeolites with high ethane/ethylene separation selectivity by simulations and experiments6Polyethyleneimine‐Based Cryogels Enabling the Selective and Reversible Adsorption of Chlorine6Parametric evaluation of a packed adsorption column to remove Cr (VI) using Langmuir and Freundlich with (LDF) and (QDF)13Advanced integration and optimization of cryogenic helium recovery in natural gas treatment plants5Molecular Mechanism Behind the Capture of Fluorinated Gases by Metal–Organic Frameworks33Adsorption and Separation by Flexible MOFs198A DFT survey of CH4 storage and separation from CH4 /X (X = H2, CO2, N2, CF4, he, ne, and Ar) gas mixtures on Ti/Sc decorated B40 fullerene5Pyridinic and pyrrolic nitrogen-doped porous carbon improves control of N2 and H2 adsorption thermodynamic for N2/H2 separation11Discovering Ultra-Stable Metal–Organic Frameworks for CO2 Capture from A Wet Flue Gas: Integrating Machine Learning and Molecular Simulation24Simulating the Dehydration Process by Adsorption and Diffusion of H2O and CH4 on the Silica2On the potentiality of pristine and Pt-decorated Ga12N12 nanocages toward sensing phosgene, diphosgene, and phosgene oxime molecules: insights from DFT approach0Synthesis and CO2 Capture Properties of Co- and Nd-Modified ZIF-8 Materials Loaded onto Electrospun Polyacrylonitrile Fibers1JuDCB: A Julia based framework for dynamic column breakthrough simulation and curve fitting1Hydrogen-Bonded Organic Framework for Fluorescence-Guided Toluene/Methylcyclohexane Separation4Enhancement of the gas separation performance of mixed matrix membranes (MMMs) with functionalized triptycene hypercrosslinked polymers of intrinsic microporosity (HCP-PIMs)5Macrocyclic lanthanum complexes for biogas adsorption: A DFT study1Acrolein detection in gaseous, aqueous, and oil phases through CaO, MgO, and BeO nanocages based on DFT1Rapid global prediction for VOCs thermal desorption behavior: An interpretable approach based on proper orthogonal decomposition2A Review on Theoretical and Computational Fluid Dynamics Modeling of Coupled Heat and Mass Transfer in Fixed Beds of Adsorbing Porous Media9Comparing the isosteric method and the direct measurement of adsorption enthalpies for CO2: Validation and methodology2Constructed wetlands as sustainable solutions for textile effluent treatment: a review0A Type III porous liquid with high separation performance for linear/branched C 4 olefin mixtures3Research progress on hydration-mass transfer characteristics and selective regulation mechanism of CH4/CO2 hydrate formation3Research Progress of Selective Formation and Enhancement Mechanism of CH 4 /CO 2 Mixed Gas Hydrates: A Review1Equilibrium and advanced kinetic studies of CO2, CH4, and N2 adsorption on ZSM-50Direct air capture: Advances in materials, processes, and engineering3Synthesis and characterization of ultramicroporous carbon from vinylidene polymer and its adsorption properties for C 2 H 6 /CH 40The multi‐region thermodynamic Langmuir‐area model: A predictive tool for non‐ideal binary adsorption0Unary and Binary Dynamic Column Breakthrough Experiments with Carbon Dioxide and Nitrogen Imaged by X-ray Computed Tomography0Metal Dimer‐Functionalized WSe 2 Monolayers as Potential Materials For NO and NO 2 Sensing and Purification: A DFT Investigation1Efficient Numerical Tools for Modeling Gas Mixture Breakthrough Curves Using IAST: Screening Adsorbents and Exploring Operating Conditions0Generalizable and Transferable Machine Learning Enables Accelerated Metal–Organic Framework Discovery in Gas Separations0Extension of the robeson upper bound for target gas collection efficiency in membrane separations: Quantitative model of optimal separation factor and molecular design guidelines0MOF–polymer mixed matrix membranes for advanced gas separation: Progress, challenges, and future perspectives0Pyrazine pillar engineering in MOFs for efficient C3F8/N2 separation: Mitigating the capacity–selectivity trade-off0Progress in Carbon Monoxide Capture Technology0

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  1. The Role of Molecular Modeling & Simulation in the Discovery and Deployment of Metal-Organic Frameworks for Gas Storage and Separation

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  2. Editorial overview: Separations engineering: advances in adsorption

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  3. The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation

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  4. Machine Learning-Based Multiobjective Optimization of Pressure Swing Adsorption

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  5. How Well Do Approximate Models of Adsorption-Based CO2 Capture Processes Predict Results of Detailed Process Models?

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  6. Tests to Ensure the Minimum Methane Concentration for Gas Engines to Limit Atmospheric Emissions

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  7. Buckybowls as gas adsorbents: binding of gaseous pollutants and their electric-field induced release

    Physical Chemistry Chemical Physics · 2020-01-01

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  8. Molecular dynamics simulation of carbon dioxide diffusion in NaA zeolite: assessment of surface effects and evaluation of bulk-like properties

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  9. Striking dual functionality of a novel Pd@Eu-MOF nanocatalyst in C(sp 2 )–C(sp 2 ) bond-forming and CO 2 fixation reactions

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  10. The effects of cell density and intrinsic porosity on structural properties and adsorption kinetics in 3D-printed zeolite monoliths

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  11. Entropy and Random Walk Trails Water Confinement and Non-Thermal Equilibrium in Photon-Induced Nanocavities

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  12. Engineering metal–organic frameworks for adsorption-based gas separations: from process to atomic scale

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  13. The development of a comprehensive toolbox based on multi-level, high-throughput screening of MOFs for CO/N 2 separations

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  14. Thermodynamic exploration of xenon/krypton separation based on a high-throughput screening

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  15. Extracting adsorbate information from manometric uptake measurements of hydrogen at high pressure and ambient temperature

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  16. Characterization of Nanoporous Materials

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  17. Capture and Reuse of Carbon Dioxide (CO2) for a Plastics Circular Economy: A Review

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  18. Understanding the Effect of Water on CO 2 Adsorption

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  19. Enhancement of gas storage and separation properties of microporous polymers by simple chemical modifications

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  20. Macrophytes as wastewater treatment agents: Nutrient uptake and potential of produced biomass utilization toward circular economy initiatives

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  21. Assessment of CO2/CH4 Separation Performance of 3D-Printed Carbon Monoliths in Pressure Swing Adsorption

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  22. On-site hydrogen production using heavy naphtha by maximizing the hydrogen output of a membrane reactor system

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  23. Natural gas dehydration by adsorption using MOFs and silicas: A review

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  24. Lanthanum- Oligopyrrole Complexes (neutral, III) for biogas capture applications by DFT

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  25. Thermodynamics of methane adsorption on carbon adsorbent prepared from mineral coal

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  26. Rapid synthesis of AlPO-18 molecular sieve for gas separation with dual-template agent

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  28. Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization

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  29. Versatile monometallic coordination polymers constructed from 4,4′-thiobis(methylene)bibenzoic acid and 1,10-phenanthroline. Synthesis, structure, magnetic and luminescence properties

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  30. DFT calculations for adsorption of H2S and other natural gas compounds on (Fe, Co, Ni, Cu and Zn)–Y zeolite clusters

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  31. A short review on pressure swing adsorption (PSA) technology for nitrogen generation from air

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  32. Efficient separation of 1,3‐butadiene from C4 hydrocarbons by flexible metal–organic framework with gate‐opening effect

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  33. MOF adsorbents for flue gas separation: Comparison of material ranking approaches

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  34. Marrying Materials and Processes: A Superstructure Inspired Optimization Approach For Pressure Swing Adsorption Based Carbon Dioxide Capture Processes

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  35. Experimental validation of an adsorbent-agnostic artificial neural network (ANN) framework for the design and optimization of cyclic adsorption processes

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  36. Deformation of Microporous Carbon Adsorbent Sorbonorit-4 during Methane Adsorption

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  37. Investigation of water kinetics in zeolite Linde‐Type‐A crystals by a concentration‐swing frequency response

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  38. Sustainable design and analysis for helium extraction from sale gas in liquefied natural gas production

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  39. Integrated metal‐organic framework ( MOF ) and pressure/vacuum swing adsorption process design: MOF matching

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  40. A neural recommender system for efficient adsorbent screening

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  41. Simultaneous Estimation of Gas Adsorption Equilibria and Kinetics of Individual Shaped Adsorbents

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  42. An ultra-permeable hybrid Mg-MOF-74-Melamine sponge composite for fast dynamic gas separation

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  43. Highlighting the Importance of Characterization Techniques Employed in Adsorption Using Metal–Organic Frameworks for Water Treatment

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  44. An initial evaluation of the thermodynamic or kinetic separation performance of cation-exchanged LTA zeolites for mixtures of propane and propylene

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  45. Etude des propriétés d'absorption de nouveaux absorbants innovants à base de matériaux hybrides poreux : application à la séparation de gaz

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  46. Multi-Compound H2, CH4, and N2 Adsorption Analysis

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  47. A multi-faceted structural, thermodynamic, and spectroscopic approach for investigating ethanol dehydration over transition phase aluminas

    Physical Chemistry Chemical Physics · 2022-12-09

    Nicholas A. Strange, Sourav Adak, Zachary Stroupe, Christopher Crain, Eric C. Novak, Luke L. Daemen, John Z. Larese

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  48. Efficient SO2 capture using an amine-functionalized, nanocrystalline cellulose-based adsorbent

    Separation and Purification Technology · 2022-12-14

    Raheleh Zafari, Fernanda Gomes de Mendonça, R. Tom Baker, Clémence Fauteux‐Lefebvre

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  49. A Cfd Study on Scaling Up a Single Flat Membrane Reactor for On-Site Hydrogen Production

    SSRN Electronic Journal · 2023-01-01

    Jae Young Yoo, Hongbum Choi, Heedae Lee, Jay H. Lee, Joongmyeon Bae

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  50. Cooperative CO 2 adsorption mechanism in a perfluorinated Ce IV -based metal organic framework

    Journal of Materials Chemistry A · 2023-01-01

    Margherita Cavallo, Cesare Atzori, Matteo Signorile, Ferdinando Costantino, Diletta Morelli Venturi, Athanasios Koutsianos, Kirill A. Lomachenko, Lucia Calucci, Francesca Martini, Andrea Giovanelli, Marco Geppi, Valentina Crocellà, Marco Taddei

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