Adsorption and separation of propane/propylene on various ZIF-8 polymorphs: Insights from GCMC simulations and the ideal adsorbed solution theory (IAST)

[1]  G. Maurin,et al.  Mechanical Control of the Kinetic Propylene/Propane Separation by Zeolitic Imidazolate Framework-8. , 2019, Angewandte Chemie.

[2]  F. Kapteijn,et al.  Cation influence in adsorptive propane/propylene separation in ZIF-8 (SOD) topology , 2019, Chemical Engineering Journal.

[3]  Chongli Zhong,et al.  Ultramicroporous Metal–Organic Framework with Polar Groups for Efficiently Recovering Propylene from Polypropylene Off-Gas , 2019, Industrial & Engineering Chemistry Research.

[4]  Shing Bo Peh,et al.  Alternatives to Cryogenic Distillation: Advanced Porous Materials in Adsorptive Light Olefin/Paraffin Separations. , 2019, Small.

[5]  François-Xavier Coudert,et al.  Rich Polymorphism of a Metal–Organic Framework in Pressure–Temperature Space , 2019, Journal of the American Chemical Society.

[6]  B. Li,et al.  A water-stable fcu-MOF material with exposed amino groups for the multi-functional separation of small molecules , 2019, Science China Materials.

[7]  D. Adams,et al.  Chemical control of structure and guest uptake by a conformationally mobile porous material , 2019, Nature.

[8]  J. Caro,et al.  Ultra-Tuning of the Aperture Size in Stiffened ZIF-8_Cm Frameworks with Mixed-Linker Strategy for Enhanced CO2 /CH4 Separation. , 2018, Angewandte Chemie.

[9]  R. Krishna,et al.  Molecular Sieving of Ethane from Ethylene through the Molecular Cross-Section Size Differentiation in Gallate-based Metal-Organic Frameworks. , 2018, Angewandte Chemie.

[10]  R. Krishna,et al.  Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites , 2018, Science.

[11]  Jaheon Kim,et al.  Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks. , 2018, Journal of the American Chemical Society.

[12]  Jianwen Jiang,et al.  Computational screening of hydrophobic metal–organic frameworks for the separation of H2S and CO2 from natural gas , 2018 .

[13]  J. Caro,et al.  Paralyzed membrane: Current-driven synthesis of a metal-organic framework with sharpened propene/propane separation , 2018, Science Advances.

[14]  Prodromos Daoutidis,et al.  Observation of a large-scale anisotropy in the arrival directions of cosmic rays above 8 × 1018 eV , 2017, Science.

[15]  D. Sholl,et al.  Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules. , 2018, ChemSusChem.

[16]  Ki‐Hyun Kim,et al.  Recent advances in controlled modification of the size and morphology of metal-organic frameworks , 2018, Nano Research.

[17]  Chongxiong Duan,et al.  Facile Synthesis of Hierarchical Porous Metal-Organic Frameworks with Enhanced Catalytic Activity , 2018 .

[18]  Zhong Li,et al.  An ethane-trapping MOF PCN-250 for highly selective adsorption of ethane over ethylene , 2018 .

[19]  Hae‐Kwon Jeong,et al.  High-Flux Zeolitic Imidazolate Framework Membranes for Propylene/Propane Separation by Postsynthetic Linker Exchange. , 2018, Angewandte Chemie.

[20]  Chongxiong Duan,et al.  Efficient adsorptive separation of C3H6 over C3H8 on flexible and thermoresponsive CPL-1 , 2017 .

[21]  P. Heitjans,et al.  Defibrillation of soft porous metal-organic frameworks with electric fields , 2017, Science.

[22]  L. Daemen,et al.  Understanding the breathing phenomena in nano-ZIF-7 upon gas adsorption , 2017 .

[23]  E. Zeng,et al.  Ultrathin metal–organic framework membrane production by gel–vapour deposition , 2017, Nature Communications.

[24]  M. Castier,et al.  Computational Study of ZIF-8 and ZIF-67 Performance for Separation of Gas Mixtures , 2017 .

[25]  Yufan Zhang,et al.  Selective Adsorption Performances of UiO-67 for Separation of Light Hydrocarbons C1, C2, and C3 , 2017 .

[26]  Peter G. Boyd,et al.  Accurate Characterization of the Pore Volume in Microporous Crystalline Materials , 2017, Langmuir : the ACS journal of surfaces and colloids.

[27]  Xiao-Ming Chen,et al.  Controlling guest conformation for efficient purification of butadiene , 2017, Science.

[28]  Ayalew H. Assen,et al.  Gas/vapour separation using ultra-microporous metal-organic frameworks: insights into the structure/separation relationship. , 2017, Chemical Society reviews.

[29]  Evelyn N. Wang,et al.  Water harvesting from air with metal-organic frameworks powered by natural sunlight , 2017, Science.

[30]  Yuguang Ma,et al.  CO2 Capture and Separations Using MOFs: Computational and Experimental Studies. , 2017, Chemical reviews.

[31]  Haihui Wang,et al.  Introduction of metal precursors by electrodeposition for the in situ growth of metal–organic framework membranes on porous metal substrates , 2017 .

[32]  R. Krishna,et al.  Potential of microporous metal–organic frameworks for separation of hydrocarbon mixtures , 2016 .

[33]  D. Sholl,et al.  Computational Model and Characterization of Stacking Faults in ZIF-8 Polymorphs , 2016 .

[34]  Jianwen Jiang,et al.  High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO2/N2/CH4 mixture , 2016 .

[35]  M. Hartmann,et al.  Olefin/Paraffin Separation Potential of ZIF‐9 and ZIF‐71: A Combined Experimental and Theoretical Study , 2016 .

[36]  P. Jedlovszky,et al.  Adsorption of Fluorinated Methane Derivatives at the Surface of Ice under Tropospheric Conditions, As Seen from Grand Canonical Monte Carlo Simulations , 2016 .

[37]  M. Eddaoudi,et al.  A metal-organic framework–based splitter for separating propylene from propane , 2016, Science.

[38]  Christopher W. Jones,et al.  Fluidic Processing of High‐Performance ZIF‐8 Membranes on Polymeric Hollow Fibers: Mechanistic Insights and Microstructure Control , 2016 .

[39]  Ryan P. Lively,et al.  Seven chemical separations to change the world , 2016, Nature.

[40]  Jianwen Jiang,et al.  In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO2 separation , 2016 .

[41]  R. Snurr,et al.  RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials , 2016 .

[42]  Chad L. Staiger,et al.  DFT-based force field development for noble gas adsorption in metal organic frameworks , 2015 .

[43]  Krista S. Walton,et al.  Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory , 2015 .

[44]  Alper Uzun,et al.  Multivariable linear models of structural parameters to predict methane uptake in metal–organic frameworks , 2015 .

[45]  Hongxia Xi,et al.  Adsorption and separation of ethane/ethylene on ZIFs with various topologies: Combining GCMC simulation with the ideal adsorbed solution theory (IAST) , 2015 .

[46]  Dorina F. Sava,et al.  Zeolite-like metal-organic frameworks (ZMOFs): design, synthesis, and properties. , 2015, Chemical Society reviews.

[47]  Krista S. Walton,et al.  Water stability and adsorption in metal-organic frameworks. , 2014, Chemical reviews.

[48]  Qiang Zhang,et al.  Tuning the structure and function of metal-organic frameworks via linker design. , 2014, Chemical Society reviews.

[49]  J. R. Johnson,et al.  Interfacial microfluidic processing of metal-organic framework hollow fiber membranes , 2014, Science.

[50]  Chongli Zhong,et al.  Development of computational methodologies for metal-organic frameworks and their application in gas separations. , 2013, Chemical reviews.

[51]  J. Caro,et al.  Ethene/ethane and propene/propane separation via the olefin and paraffin selective metal-organic framework adsorbents CPO-27 and ZIF-8. , 2013, Langmuir : the ACS journal of surfaces and colloids.

[52]  Zhongqiao Hu,et al.  Sorption-induced structural transition of zeolitic imidazolate framework-8: a hybrid molecular simulation study. , 2013, Journal of the American Chemical Society.

[53]  Ryan P. Lively,et al.  Unexpected Molecular Sieving Properties of Zeolitic Imidazolate Framework-8. , 2012, The journal of physical chemistry letters.

[54]  T. Düren,et al.  Evaluation of Ideal Adsorbed Solution Theory as a Tool for the Design of Metal−Organic Framework Materials , 2012 .

[55]  Maciej Haranczyk,et al.  Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials , 2012 .

[56]  C. Wilmer,et al.  Large-scale screening of hypothetical metal-organic frameworks. , 2012, Nature chemistry.

[57]  F. Kapteijn,et al.  Understanding the anomalous alkane selectivity of ZIF-7 in the separation of light alkane/alkene mixtures. , 2011, Chemistry.

[58]  J. Caro,et al.  Diffusion of CH4 and H2 in ZIF-8 , 2011 .

[59]  H. Bajaj,et al.  Sorption studies of CO2, CH4, N2, CO, O2 and Ar on nanoporous aluminum terephthalate [MIL-53(Al)] , 2011 .

[60]  A. Cheetham,et al.  Chemical structure, network topology, and porosity effects on the mechanical properties of Zeolitic Imidazolate Frameworks , 2010, Proceedings of the National Academy of Sciences.

[61]  A. Simon‐Masseron,et al.  Adsorption of CO(2), CH(4), and N(2) on zeolitic imidazolate frameworks: experiments and simulations. , 2010, Chemistry.

[62]  Yingchun Liu,et al.  Adsorption sites of hydrogen in zeolitic imidazolate frameworks. , 2009, The journal of physical chemistry. B.

[63]  Michael O’Keeffe,et al.  Exceptional chemical and thermal stability of zeolitic imidazolate frameworks , 2006, Proceedings of the National Academy of Sciences.

[64]  Wei Zhang,et al.  A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations , 2003, J. Comput. Chem..

[65]  J. Ilja Siepmann,et al.  Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen , 2001 .

[66]  W. L. Jorgensen,et al.  Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids , 1996 .

[67]  W. Goddard,et al.  UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations , 1992 .

[68]  S. L. Mayo,et al.  DREIDING: A generic force field for molecular simulations , 1990 .

[69]  K. Sing.  Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984) , 1985 .

[70]  B. Widom,et al.  Some Topics in the Theory of Fluids , 1963 .

[71]  Xinsheng Peng,et al.  Mass transport through metal organic framework membranes , 2018, Science China Materials.

[72]  Donald B. Robinson,et al.  The development of the Peng - Robinson equation and its application to phase equilibrium in a system containing methanol , 1985 .

[73]  Alan L. Myers,et al.  Thermodynamics of mixed‐gas adsorption , 1965 .