Multi-scale computational screening to accelerate discovery of IL/COF composites for CO2/N2 separation
出版年份 2022 全文链接
标题
Multi-scale computational screening to accelerate discovery of IL/COF composites for CO2/N2 separation
作者
关键词
Covalent organic framework, Ionic liquid, Simulation, Adsorption, Membrane, CO, 2
出版物
SEPARATION AND PURIFICATION TECHNOLOGY
Volume 287, Issue -, Pages 120578
出版商
Elsevier BV
发表日期
2022-01-29
DOI
10.1016/j.seppur.2022.120578
参考文献
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注意：仅列出部分参考文献，下载原文获取全部文献信息。- Doubling CO2/N2 separation performance of CuBTC by incorporation of 1-n-ethyl-3-methylimidazolium diethyl phosphate
- (2021) Muhammad Zeeshan et al. MICROPOROUS AND MESOPOROUS MATERIALS
- Porphyrin- and porphyrinoid-based covalent organic frameworks (COFs): From design, synthesis to applications
- (2021) Minghui Chen et al. COORDINATION CHEMISTRY REVIEWS
- A Rising Star from Two Worlds: Collaboration of COFs and ILs
- (2021) You Zhang et al. ADVANCED FUNCTIONAL MATERIALS
- Performance-Based Screening of Porous Materials for Carbon Capture
- (2021) Amir H. Farmahini et al. CHEMICAL REVIEWS
- Assessing CH4/N2 separation potential of MOFs, COFs, IL/MOF, MOF/Polymer, and COF/Polymer composites
- (2021) Hasan Can Gulbalkan et al. CHEMICAL ENGINEERING JOURNAL
- CO2 separation from flue gas mixture using [BMIM][BF4]/MOF composites: Linking high-throughput computational screening with experiments
- (2020) H. Mert Polat et al. CHEMICAL ENGINEERING JOURNAL
- MOF-Based Membranes for Gas Separations
- (2020) Qihui Qian et al. CHEMICAL REVIEWS
- Computational Selection of High-Performing Covalent Organic Frameworks for Adsorption and Membrane-Based CO2/H2 Separation
- (2020) Gokhan Onder Aksu et al. Journal of Physical Chemistry C
- Effect of Ionic Liquid Impregnation in Highly Water-Stable Metal–Organic Frameworks, Covalent Organic Frameworks, and Carbon-Based Adsorbents for Post-combustion Flue Gas Treatment
- (2019) Manish Maurya et al. ENERGY & FUELS
- A review on emerging organic-containing microporous material membranes for carbon capture and separation
- (2019) Nicholaus Prasetya et al. CHEMICAL ENGINEERING JOURNAL
- Unlocking CO2 separation performance of ionic liquid/CuBTC composites: Combining experiments with molecular simulations
- (2019) H. Mert Polat et al. CHEMICAL ENGINEERING JOURNAL
- Organic template-free synthesis of high-quality CHA type zeolite membranes for carbon dioxide separation
- (2018) Eunhee Jang et al. JOURNAL OF MEMBRANE SCIENCE
- Fast, Ambient Temperature and Pressure Ionothermal Synthesis of Three-Dimensional Covalent Organic Frameworks
- (2018) Xinyu Guan et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Role of Ionic Liquid [EMIM]+[SCN]− in the Adsorption and Diffusion of Gases in Metal–Organic Frameworks
- (2018) Jose Manuel Vicent-Luna et al. ACS Applied Materials & Interfaces
- Semi-interpenetrating polymer network membranes based on a self-crosslinkable comb copolymer for CO2 capture
- (2018) Na Un Kim et al. CHEMICAL ENGINEERING JOURNAL
- Efficient removal of benzene from cyclohexane-benzene mixtures using deep eutectic solvents – COSMO-RS screening and experimental validation
- (2017) Zulhaziman Salleh et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- Sorption and Diffusion of CO 2 /N 2 in gas mixture in thermally-rearranged polymeric membranes: A molecular investigation
- (2017) Carmen Rizzuto et al. JOURNAL OF MEMBRANE SCIENCE
- Improving Gas Separation Performance of ZIF-8 by [BMIM][BF4] Incorporation: Interactions and Their Consequences on Performance
- (2017) Burak Koyuturk et al. Journal of Physical Chemistry C
- Covalent Organic Frameworks for CO2Capture
- (2016) Yongfei Zeng et al. ADVANCED MATERIALS
- Effects of ionic liquid dispersion in metal-organic frameworks and covalent organic frameworks on CO2 capture: A computational study
- (2016) Wenjuan Xue et al. CHEMICAL ENGINEERING SCIENCE
- Molecular Interactions of a Cu-Based Metal–Organic Framework with a Confined Imidazolium-Based Ionic Liquid: A Combined Density Functional Theory and Experimental Vibrational Spectroscopy Study
- (2016) Nilesh R. Dhumal et al. Journal of Physical Chemistry C
- Storage and Separation of Carbon Dioxide and Methane in Hydrated Covalent Organic Frameworks
- (2016) J. M. Vicent-Luna et al. Journal of Physical Chemistry C
- Tuning the Gas Separation Performance of CuBTC by Ionic Liquid Incorporation
- (2016) Kutay B. Sezginel et al. LANGMUIR
- In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm
- (2016) Y. G. Chung et al. Science Advances
- Identifying Highly Selective Metal Organic Frameworks for CH4/H2 Separations Using Computational Tools
- (2015) Yasemin Basdogan et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Ionic Liquid/Metal–Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration
- (2015) Zhengjie Li et al. Journal of Physical Chemistry C
- RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
- (2015) David Dubbeldam et al. MOLECULAR SIMULATION
- Construction and Characterization of Structure Models of Crystalline Porous Polymers
- (2014) Richard Luis Martin et al. CRYSTAL GROWTH & DESIGN
- Ab initiostudy of the π-π interactions between CO2and benzene, pyridine, and pyrrole
- (2013) Long Chen et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks
- (2013) Michael Fernandez et al. Journal of Physical Chemistry C
- Ionic Liquid Membranes Supported by Hydrophobic and Hydrophilic Metal–Organic Frameworks for CO2 Capture
- (2013) Krishna M. Gupta et al. Journal of Physical Chemistry C
- Effect of Room-Temperature Ionic Liquids on CO2 Separation by a Cu-BTC Metal–Organic Framework
- (2013) José Manuel Vicent-Luna et al. Journal of Physical Chemistry C
- An online parameter and property database for the TraPPE force field
- (2013) Becky L. Eggimann et al. MOLECULAR SIMULATION
- Covalent organic frameworks (COFs): from design to applications
- (2012) San-Yuan Ding et al. CHEMICAL SOCIETY REVIEWS
- Progress and trends in CO2 capture/separation technologies: A review
- (2012) Monoj Kumar Mondal et al. ENERGY
- An Overview of Mutual Solubility of Ionic Liquids and Water Predicted by COSMO-RS
- (2012) Teng Zhou et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- State-of-the-Art of CO2 Capture with Ionic Liquids
- (2012) Mahinder Ramdin et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Metal–organic framework supported ionic liquid membranes for CO2 capture: anion effects
- (2012) Krishna M. Gupta et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Gas solubilities in room temperature ionic liquids – Correlation between RTiL-molar mass and Henry's law constant
- (2011) Jessica Blath et al. CHEMICAL ENGINEERING JOURNAL
- Screening Metal–Organic Framework-Based Mixed-Matrix Membranes for CO2/CH4Separations
- (2011) Ilknur Erucar et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Multiwfn: A multifunctional wavefunction analyzer
- (2011) Tian Lu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Molecular Simulations and Theoretical Predictions for Adsorption and Diffusion of CH4/H2 and CO2/CH4 Mixtures in ZIFs
- (2011) Jinchen Liu et al. Journal of Physical Chemistry C
- Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
- (2011) Thomas F. Willems et al. MICROPOROUS AND MESOPOROUS MATERIALS
- Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration
- (2010) Christopher E. Wilmer et al. CHEMICAL ENGINEERING JOURNAL
- High-Flux SAPO-34 Membrane for CO2/N2Separation
- (2010) Shiguang Li et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Thermophysical Properties of Pure Ionic Liquids: Review of Present Situation
- (2010) Santiago Aparicio et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Ionic Liquids for CO2 Capture and Emission Reduction
- (2010) Joan F. Brennecke et al. Journal of Physical Chemistry Letters
- Evaluation of Gas Solubility Prediction in Ionic Liquids using COSMOthermX
- (2009) Norfaizah Ab Manan et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- The upper bound revisited
- (2008) Lloyd M. Robeson JOURNAL OF MEMBRANE SCIENCE
- Expansion of the σ-hole concept
- (2008) Jane S. Murray et al. JOURNAL OF MOLECULAR MODELING
- Synthesis of FAU-type zeolite membrane: An original in situ process focusing on the rheological control of gel-like precursor species
- (2008) Florent Guillou et al. MICROPOROUS AND MESOPOROUS MATERIALS
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