Computational study of the effect of functionalization on natural gas components separation and adsorption in NUM-3a MOF
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Title
Computational study of the effect of functionalization on natural gas components separation and adsorption in NUM-3a MOF
Authors
Keywords
MOF, GCMC, CO, 2, Adsorption, Natural gas
Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume 101, Issue -, Pages 107731
Publisher
Elsevier BV
Online
2020-09-02
DOI
10.1016/j.jmgm.2020.107731
References
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Note: Only part of the references are listed.- H2S separation from biogas by adsorption on functionalized MIL-47-X (X = −OH and − OCH3): A simulation study
- (2019) Vahid Sokhanvaran et al. APPLIED SURFACE SCIENCE
- Theoretical study of heterofullerene-linked metal–organic framework with lithium doping for CO2 capture and separation from CO2/CH4 and CO2/H2 mixtures
- (2019) Genjian Xu et al. MICROPOROUS AND MESOPOROUS MATERIALS
- Stable Metal-Organic Frameworks: Design, Synthesis, and Applications
- (2018) Shuai Yuan et al. ADVANCED MATERIALS
- Metal-Organic Frameworks for Separation
- (2018) Xiang Zhao et al. ADVANCED MATERIALS
- One-pot synthesis of hierarchical-pore metal–organic frameworks for drug delivery and fluorescent imaging
- (2018) Xuechuan Gao et al. CRYSTENGCOMM
- Recent advances in gas storage and separation using metal–organic frameworks
- (2018) Hao Li et al. Materials Today
- A review on common adsorbents for acid gases removal: Focus on biochar
- (2018) Hanieh Bamdad et al. RENEWABLE & SUSTAINABLE ENERGY REVIEWS
- Nanoscale metal–organic frameworks for drug delivery: a conventional platform with new promise
- (2018) Lei Wang et al. Journal of Materials Chemistry B
- Experimental and computer simulation studies of dehydration on microporous adsorbent of natural gas used as motor fuel
- (2018) M.R. Petryk et al. FUEL
- H 2 S adsorption onto Cu-Zn–Ni nanoparticles loaded activated carbon and Ni-Co nanoparticles loaded γ-Al 2 O 3 : Optimization and adsorption isotherms
- (2017) A. Daneshyar et al. JOURNAL OF COLLOID AND INTERFACE SCIENCE
- Molecular simulations of adsorption and separation of ethylene/ethane and propylene/propane mixtures on Ni2(dobdc) and Ni2(m-dobdc) metal-organic frameworks
- (2017) Mohammad Gholami et al. MOLECULAR SIMULATION
- Automated analysis and benchmarking of GCMC simulation programs in application to gas adsorption
- (2017) Richard J. Gowers et al. MOLECULAR SIMULATION
- Coordination frameworks containing compounds as catalysts
- (2017) Girijesh Kumar et al. Inorganic Chemistry Frontiers
- Zr-based metal–organic frameworks: design, synthesis, structure, and applications
- (2016) Yan Bai et al. CHEMICAL SOCIETY REVIEWS
- Multiscale Computational Study on the Adsorption and Separation of CO2/CH4and CO2/H2on Li+-Doped Mixed-Ligand Metal-Organic Framework Zn2(NDC)2(diPyNI)
- (2016) Vahid Sokhanvaran et al. CHEMPHYSCHEM
- Evaluation of Force Field Performance for High-Throughput Screening of Gas Uptake in Metal–Organic Frameworks
- (2015) Jesse G. McDaniel 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
- Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization
- (2014) Bin Wang et al. INORGANIC CHEMISTRY
- Metal–organic framework nanosheets in polymer composite materials for gas separation
- (2014) Tania Rodenas et al. NATURE MATERIALS
- A Review on Breathing Behaviors of Metal-Organic-Frameworks (MOFs) for Gas Adsorption
- (2014) Mays Alhamami et al. Materials
- New nanostructured sorbents for desulfurization of natural gas
- (2014) Lifeng Wang et al. Frontiers of Chemical Science and Engineering
- Computational screening of porous carbons, zeolites, and metal organic frameworks for desulfurization and decarburization of biogas, natural gas, and flue gas
- (2013) Xuan Peng et al. AICHE JOURNAL
- New Functionalized Metal–Organic Frameworks MIL-47-X (X = −Cl, −Br, −CH3, −CF3, −OH, −OCH3): Synthesis, Characterization, and CO2 Adsorption Properties
- (2013) Shyam Biswas et al. Journal of Physical Chemistry C
- Adsorption of C1–C4 Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields, Atomic Charges, and Framework Flexibility
- (2013) Kang Zhang et al. Journal of Physical Chemistry C
- Fundamental Aspects of H2S Adsorption on CPO-27-Ni
- (2013) Sachin Chavan et al. Journal of Physical Chemistry C
- Sorption and breathing properties of difluorinated MIL-47 and Al-MIL-53 frameworks
- (2013) Shyam Biswas et al. MICROPOROUS AND MESOPOROUS MATERIALS
- An online parameter and property database for the TraPPE force field
- (2013) Becky L. Eggimann et al. MOLECULAR SIMULATION
- Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
- (2013) Patrick Nugent et al. NATURE
- Metal–organic frameworks as catalysts: the role of metal active sites
- (2013) Pieterjan Valvekens et al. Catalysis Science & Technology
- Fluorous Metal-Organic Frameworks with Enhanced Stability and High H2/CO2 Storage Capacities
- (2013) Da-Shuai Zhang et al. Scientific Reports
- The removal of CO2 and N2 from natural gas: A review of conventional and emerging process technologies
- (2012) T.E. Rufford et al. JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
- Highly Selective Sorption and Separation of CO2 from a Gas Mixture of CO2 and CH4 at Room Temperature by a Zeolitic Organic–Inorganic Ionic Crystal and Investigation of the Interaction with CO2
- (2012) Ryo Eguchi et al. Journal of Physical Chemistry C
- Ab initio carbon capture in open-site metal–organic frameworks
- (2012) Allison L. Dzubak et al. Nature Chemistry
- Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions
- (2012) Shengchang Xiang et al. Nature Communications
- Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: from zeolites, metal–organic frameworks to protein crystals
- (2011) Jianwen Jiang et al. CHEMICAL SOCIETY REVIEWS
- Simultaneous Adsorption of H2S and CO2on Triamine-Grafted Pore-Expanded Mesoporous MCM-41 Silica
- (2011) Youssef Belmabkhout et al. ENERGY & FUELS
- Molecular Simulation Studies of Separation of CO2/N2, CO2/CH4, and CH4/N2 by ZIFs
- (2010) Bei Liu et al. Journal of Physical Chemistry C
- The application of metal-organic frameworks in catalysis (Review)
- (2010) V. I. Isaeva et al. PETROLEUM CHEMISTRY
- Using molecular simulation to characterise metal–organic frameworks for adsorption applications
- (2009) Tina Düren et al. CHEMICAL SOCIETY REVIEWS
- “Molecular Basket” Sorbents for Separation of CO2and H2S from Various Gas Streams
- (2009) Xiaoliang Ma et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A review of biogas purification processes
- (2008) Nicolas Abatzoglou et al. Biofuels Bioproducts & Biorefining-Biofpr
- Hydrogen sulfide removal from biogas by zeolite adsorption. Part II. MD simulations
- (2008) P COSOLI et al. CHEMICAL ENGINEERING JOURNAL
- Natural Gas Processing with Membranes: An Overview
- (2008) Richard W. Baker et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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