Cargando…

Computational Screening of Metal–Organic Frameworks for Membrane-Based CO(2)/N(2)/H(2)O Separations: Best Materials for Flue Gas Separation

[Image: see text] It has become a significant challenge to select the best metal–organic frameworks (MOFs) for membrane-based gas separations because the number of synthesized MOFs is growing exceptionally fast. In this work, we used high-throughput computational screening to identify the top MOF me...

Descripción completa

Detalles Bibliográficos
Autores principales:	Daglar, Hilal, Keskin, Seda
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6077770/ https://www.ncbi.nlm.nih.gov/pubmed/30093931 http://dx.doi.org/10.1021/acs.jpcc.8b05416

Ejemplares similares

Combining Machine Learning and Molecular Simulations to Unlock Gas Separation Potentials of MOF Membranes and MOF/Polymer MMMs
por: Daglar, Hilal, et al.
Publicado: (2022)

Computational Selection of High-Performing Covalent Organic Frameworks for Adsorption and Membrane-Based CO(2)/H(2) Separation
por: Aksu, Gokhan Onder, et al.
Publicado: (2020)

Database for CO(2) Separation Performances of MOFs Based on Computational Materials Screening
por: Altintas, Cigdem, et al.
Publicado: (2018)

Effect of Metal–Organic Framework (MOF) Database Selection on the Assessment of Gas Storage and Separation Potentials of MOFs
por: Daglar, Hilal, et al.
Publicado: (2021)

Computer simulations of 4240 MOF membranes for H(2)/CH(4) separations: insights into structure–performance relations
por: Altintas, Cigdem, et al.
Publicado: (2018)

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H(2)/N(2) Separations
por: Azar, Ayda Nemati Vesali, et al.
Publicado: (2019)

Selective Adsorption-Based Separation of Flue Gas and Natural Gas in Zirconium Metal-Organic Frameworks Nanocrystals
por: Li, Pengli, et al.
Publicado: (2019)

Machine Learning Meets with Metal Organic Frameworks for Gas Storage and Separation
por: Altintas, Cigdem, et al.
Publicado: (2021)

Recent advances in simulating gas permeation through MOF membranes
por: Daglar, Hilal, et al.
Publicado: (2021)

High-Throughput Computational Screening of the Metal Organic Framework Database for CH(4)/H(2) Separations
por: Altintas, Cigdem, et al.
Publicado: (2018)

Integrating Molecular Simulations with Machine Learning Guides in the Design and Synthesis of [BMIM][BF(4)]/MOF Composites for CO(2)/N(2) Separation
por: Daglar, Hilal, et al.
Publicado: (2023)

Effect of methylation of ionic liquids on the gas separation performance of ionic liquid/metal–organic framework composites
por: Nozari, Vahid, et al.
Publicado: (2018)

Combined Superbase Ionic Liquid Approach to Separate CO(2) from Flue Gas
por: Greer, Adam J., et al.
Publicado: (2022)

Large-Scale Screening and Machine Learning for Metal–Organic Framework Membranes to Capture CO(2) from Flue Gas
por: Situ, Yizhen, et al.
Publicado: (2022)

Computational Screening of Metal–Organic Framework Membranes for the Separation of 15 Gas Mixtures
por: Yang, Wenyuan, et al.
Publicado: (2019)

The Separative Performance of Modules with Polymeric Membranes for a Hybrid Adsorptive/Membrane Process of CO(2) Capture from Flue Gas
por: Janusz-Cygan, Aleksandra, et al.
Publicado: (2020)

Metal-organic framework nanosheets in polymer composite materials for gas separation
por: Rodenas, Tania, et al.
Publicado: (2014)

Comparison of CO(2) Separation Efficiency from Flue Gases Based on Commonly Used Methods and Materials
por: Ziobrowski, Zenon, et al.
Publicado: (2022)

Computational Screening of MOFs for Acetylene Separation
por: Nemati Vesali Azar, Ayda, et al.
Publicado: (2018)

Synthesis and Characterization of Hybrid Metal Zeolitic Imidazolate Framework Membrane for Efficient H(2)/CO(2) Gas Separation
por: Chang, Po-Hsueh, et al.
Publicado: (2020)

Engineering Metal-Organic-Framework (MOF)-Based Membranes for Gas and Liquid Separation
por: Duan, Yutian, et al.
Publicado: (2023)

Molecular Simulations of MOF Membranes and Performance Predictions of MOF/Polymer Mixed Matrix Membranes for CO(2)/CH(4) Separations
por: Altintas, Cigdem, et al.
Publicado: (2018)

Advancing CH(4)/H(2) separation with covalent organic frameworks by combining molecular simulations and machine learning
por: Aksu, Gokhan Onder, et al.
Publicado: (2023)

High-Throughput Screening of COF Membranes and COF/Polymer MMMs for Helium Separation and Hydrogen Purification
por: Aydin, Sena, et al.
Publicado: (2022)

Unlocking the Effect of H(2)O on CO(2) Separation Performance of Promising MOFs Using Atomically Detailed Simulations
por: Erucar, Ilknur, et al.
Publicado: (2020)

Single-Walled Zeolitic Nanotubes: Advantaged Supports for Poly(ethylenimine) in CO(2) Separation from Simulated Air and Flue Gas
por: Short, Gabriel N., et al.
Publicado: (2023)

Membranes for Gas Separation
por: Zhang, Zhien, et al.
Publicado: (2021)

Computational Investigation of Dual Filler-Incorporated Polymer Membranes for Efficient CO(2) and H(2) Separation: MOF/COF/Polymer Mixed Matrix Membranes
por: Aydin, Sena, et al.
Publicado: (2023)

CO(2) Capture from High-Humidity Flue Gas Using a Stable Metal–Organic Framework
por: Wang, Qi, et al.
Publicado: (2022)

In Silico Screening of Metal−Organic Frameworks and Zeolites for He/N(2) Separation
por: Grenev, Ivan V., et al.
Publicado: (2022)

Effects of Force Field Selection on the Computational Ranking of MOFs for CO(2) Separations
por: Dokur, Derya, et al.
Publicado: (2018)

Recent advances in metal–organic frameworks for gas adsorption/separation
por: Jiang, Chuanhai, et al.
Publicado: (2022)

Molecular simulations of MOF membranes for separation of ethane/ethene and ethane/methane mixtures
por: Altintas, Cigdem, et al.
Publicado: (2017)

Metal–organic frameworks as O(2)-selective adsorbents for air separations
por: Jaramillo, David E., et al.
Publicado: (2022)

Mixed-linker strategy for suppressing structural flexibility of metal-organic framework membranes for gas separation
por: Chang, Chung-Kai, et al.
Publicado: (2023)

Computational investigation of multifunctional MOFs for adsorption and membrane-based separation of CF(4)/CH(4), CH(4)/H(2), CH(4)/N(2), and N(2)/H(2) mixtures
por: Demir, Hakan, et al.
Publicado: (2022)

Carbon Dioxide Separation from Flue Gases: A Technological Review Emphasizing Reduction in Greenhouse Gas Emissions
por: Songolzadeh, Mohammad, et al.
Publicado: (2014)

Polyvinylnorbornene Gas Separation Membranes
por: Dujardin, Wouter, et al.
Publicado: (2019)

Polymer Membranes for Gas Separation
por: Lasseuguette, Elsa, et al.
Publicado: (2022)

Separation of Carbon Dioxide from Real Power Plant Flue Gases by Gas Permeation Using a Supported Ionic Liquid Membrane: An Investigation of Membrane Stability
por: Klingberg, Patrik, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_j0v4omglqsjfktkiqsj012gcls