Simulation of separation of C2H6from CH4using zeolitic imidazolate frameworks

Screening Hofmann Compounds as CO2 Sorbents: Nontraditional Synthetic Route to Over 40 Different Pore-Functionalized and Flexible Pillared Cyanonickelates

(2013) Jeffrey T. Culp et al.   INORGANIC CHEMISTRY

Adsorption and Diffusion of Small Alcohols in Zeolitic Imidazolate Frameworks ZIF-8 and ZIF-90

(2013) Jason A. Gee et al.   Journal of Physical Chemistry C

High Separation Capacity and Selectivity of C2 Hydrocarbons over Methane within a Microporous Metal-Organic Framework at Room Temperature

(2012) Yabing He et al.   CHEMISTRY-A EUROPEAN JOURNAL

Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH4and CO2in ZIF-8

(2012) Emmanuel Haldoupis et al.   CHEMPHYSCHEM

Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: combined experimental and simulation study

(2012) David Fairen-Jimenez et al.   DALTON TRANSACTIONS

Atomically Detailed Models for Transport of Gas Mixtures in ZIF Membranes and ZIF/Polymer Composite Membranes

(2012) Erhan Atci et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Development of a force field for zeolitic imidazolate framework-8 with structural flexibility

(2012) Zhongqiao Hu et al.   JOURNAL OF CHEMICAL PHYSICS

Mixed gas adsorption of carbon dioxide and methane on a series of isoreticular microporous metal–organic frameworks based on 2-substituted imidazolate-4-amide-5-imidates

(2012) Franziska Debatin et al.   JOURNAL OF MATERIALS CHEMISTRY

Understanding Gas-Induced Structural Deformation of ZIF-8

(2012) Conchi O. Ania et al.   Journal of Physical Chemistry Letters

Large-Scale Computational Screening of Zeolites for Ethane/Ethene Separation

(2012) Jihan Kim et al.   LANGMUIR

Adsorptive separation of CO2/CH4/CO gas mixtures at high pressures

(2012) Rajamani Krishna   MICROPOROUS AND MESOPOROUS MATERIALS

Extraction of ethane from natural gas at high pressure by adsorption on Na-ETS-10

(2011) A.M. Avila et al.   CHEMICAL ENGINEERING SCIENCE

Extraction of ethane from natural gas by adsorption on modified ETS-10

(2011) N.B.K. Magnowski et al.   CHEMICAL ENGINEERING SCIENCE

Effect of temperature on gas adsorption and separation in ZIF-8: A combined experimental and molecular simulation study

(2011) Hongliang Huang et al.   CHEMICAL ENGINEERING SCIENCE

Experimental and theoretical study of the adsorption of pure molecules and binary systems containing methane, carbon monoxide, carbon dioxide and nitrogen. Application to the syngas generation

(2011) N. Heymans et al.   CHEMICAL ENGINEERING SCIENCE

A Microporous Metal-Organic Framework for Highly Selective Separation of Acetylene, Ethylene, and Ethane from Methane at Room Temperature

(2011) Yabing He et al.   CHEMISTRY-A EUROPEAN JOURNAL

Effect of Pore Topology and Accessibility on Gas Adsorption Capacity in Zeolitic−Imidazolate Frameworks: Bringing Molecular Simulation Close to Experiment

(2011) Ravichandar Babarao et al.   Journal of Physical Chemistry C

Improved H2 Storage in Zeolitic Imidazolate Frameworks Using Li+, Na+, and K+ Dopants, with an Emphasis on Delivery H2 Uptake

(2011) Sang Soo Han et al.   Journal of Physical Chemistry C

Adsorption of Gases in Microporous Organic Molecular Crystal, a Multiscale Computational Investigation

(2011) Wenliang Li et al.   Journal of Physical Chemistry C

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

CNT@Cu3(BTC)2 and Metal–Organic Frameworks for Separation of CO2/CH4 Mixture

(2011) Zhonghua Xiang et al.   Journal of Physical Chemistry C

On the Impact of Sorbent Mobility on the Sorbed Phase Equilibria and Dynamics: A Study of Methane and Carbon Dioxide within the Zeolite Imidazolate Framework-8

(2011) Evangelia Pantatosaki et al.   Journal of Physical Chemistry C

Force Field for Molecular Dynamics Computations in Flexible ZIF-8 Framework

(2011) Bin Zheng et al.   Journal of Physical Chemistry C

Opening the Gate: Framework Flexibility in ZIF-8 Explored by Experiments and Simulations

(2011) D. Fairen-Jimenez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Zeolitic imidazolate frameworks for separation of binary mixtures of CO2, CH4, N2 and H2: A computer simulation investigation

(2011) Anna Battisti et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Adsorption of CO2, CO, CH4 and N2 on a zinc based metal organic framework

(2011) Prashant Mishra et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Adsorption of CO2, CH4, N2O, and N2on MOF-5, MOF-177, and Zeolite 5A

(2010) Dipendu Saha et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Ethene/ethane separation by the MOF membrane ZIF-8: Molecular correlation of permeation, adsorption, diffusion

(2010) Helge Bux et al.   JOURNAL OF MEMBRANE SCIENCE

Atomistic Simulations for Adsorption, Diffusion, and Separation of Gas Mixtures in Zeolite Imidazolate Frameworks

(2010) Seda Keskin   Journal of Physical Chemistry C

Molecular Simulation for Adsorption and Separation of CH4/H2 in Zeolitic Imidazolate Frameworks

(2010) Hai-chao Guo et al.   Journal of Physical Chemistry C

Grand-Canonical Monte Carlo and Molecular-Dynamics Simulations of Carbon-Dioxide and Carbon-Monoxide Adsorption in Zeolitic Imidazolate Framework Materials

(2010) Andrew Sirjoosingh et al.   Journal of Physical Chemistry C

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 osmotic framework adsorbed solution theory: predicting mixture coadsorption in flexible nanoporous materials

(2010) François-Xavier Coudert   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks

(2009) Anh Phan et al.   ACCOUNTS OF CHEMICAL RESEARCH

The Effect of Pressure on ZIF-8: Increasing Pore Size with Pressure and the Formation of a High-Pressure Phase at 1.47 GPa

(2009) Stephen A. Moggach et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective gas adsorption and separation in metal–organic frameworks

(2009) Jian-Rong Li et al.   CHEMICAL SOCIETY REVIEWS

Adsorption of CO2, CH4, and N2on Zeolitic Imidazolate Frameworks: Experiments and Simulations

(2009) Javier Pérez-Pellitero et al.   CHEMISTRY-A EUROPEAN JOURNAL

Understanding the Adsorption and Diffusion of Carbon Dioxide in Zeolitic Imidazolate Frameworks: A Molecular Simulation Study

(2009) Dahuan Liu et al.   Journal of Physical Chemistry C

Fuel Gas Storage and Separations by Metal−Organic Frameworks: Simulated Adsorption Isotherms for H2 and CH4 and Their Equimolar Mixture

(2009) Marco Gallo et al.   Journal of Physical Chemistry C

Control of Pore Size and Functionality in Isoreticular Zeolitic Imidazolate Frameworks and their Carbon Dioxide Selective Capture Properties

(2009) Rahul Banerjee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Zeolite RHO-Type Net with the Lightest Elements

(2009) Tao Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identification of Adsorption Sites in Cu-BTC by Experimentation and Molecular Simulation

(2009) Elena García-Pérez et al.   LANGMUIR

Molecular Simulation Study of the Stepped Behaviors of Gas Adsorption in Two-Dimensional Covalent Organic Frameworks

(2009) Qingyuan Yang et al.   LANGMUIR

The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets

(2008) Michael O’Keeffe et al.   ACCOUNTS OF CHEMICAL RESEARCH

Enhanced Adsorption Selectivity of Hydrogen/Methane Mixtures in Metal−Organic Frameworks with Interpenetration: A Molecular Simulation Study

(2008) Bei Liu et al.   Journal of Physical Chemistry C

Crystals as Molecules: Postsynthesis Covalent Functionalization of Zeolitic Imidazolate Frameworks

(2008) William Morris et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Colossal cages in zeolitic imidazolate frameworks as selective carbon dioxide reservoirs

(2008) Bo Wang et al.   NATURE

Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks

(2008) Ana Martín-Calvo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-Throughput Synthesis of Zeolitic Imidazolate Frameworks and Application to CO2Capture

(2008) Rahul Banerjee et al.   SCIENCE

Adsorption and separation of binary mixtures in a metal-organic framework Cu-BTC: A computational study

(2007) Sanyue Wang et al.   SEPARATION AND PURIFICATION TECHNOLOGY