Molecular simulation investigation into the performance of Cu–BTC metal–organic frameworks for carbon dioxide–methane separations

Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks

(2011) Jian-Rong Li et al.   COORDINATION CHEMISTRY REVIEWS

Effect of air humidity on the removal of carbon tetrachloride from air using Cu–BTC metal–organic framework

(2011) Ana Martín-Calvo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the performance of Cu-BTC metal organic framework for carbon tetrachloride gas removal

(2010) Sofía Calero et al.   CHEMICAL COMMUNICATIONS

Can Metal-Organic Framework Materials Play a Useful Role in Large-Scale Carbon Dioxide Separations?

(2010) Seda Keskin et al.   ChemSusChem

CO2and CH4Separation by Adsorption Using Cu-BTC Metal−Organic Framework

(2010) Lomig Hamon et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Understanding gas separation in metal–organic frameworks using computer modeling

(2010) Dahuan Liu et al.   JOURNAL OF MATERIALS CHEMISTRY

Analysis of the ITQ-12 Zeolite Performance in Propane−Propylene Separations Using a Combination of Experiments and Molecular Simulations

(2010) Juan José Gutiérrez-Sevillano et al.   Journal of Physical Chemistry C

Adsorption and Diffusion of Water, Methanol, and Ethanol in All-Silica DD3R: Experiments and Simulations

(2010) Jelan Kuhn et al.   Journal of Physical Chemistry C

Molecular Simulations and Experimental Studies of CO2, CO, and N2 Adsorption in Metal−Organic Frameworks

(2010) Jagadeswara R. Karra et al.   Journal of Physical Chemistry C

Modeling Adsorption and Self-Diffusion of Methane in LTA Zeolites: The Influence of Framework Flexibility

(2010) A. García-Sánchez et al.   Journal of Physical Chemistry C

Molecular Understanding for the Adsorption of Water and Alcohols in Hydrophilic and Hydrophobic Zeolitic Metal−Organic Frameworks

(2010) A. Nalaparaju et al.   Journal of Physical Chemistry C

A Highly Hydrophobic Metal−Organic Framework Zn(BDC)(TED)0.5 for Adsorption and Separation of CH3OH/H2O and CO2/CH4: An Integrated Experimental and Simulation Study

(2010) Y. F. Chen et al.   Journal of Physical Chemistry C

Metal−Organic Framework MIL-101 for Adsorption and Effect of Terminal Water Molecules: From Quantum Mechanics to Molecular Simulation

(2010) Y. F. Chen et al.   LANGMUIR

Methane storage mechanism in the metal-organic framework Cu3(btc)2: An in situ neutron diffraction study

(2010) Juergen Getzschmann et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Adsorption of light hydrocarbons in the flexible MIL-53(Cr) and rigid MIL-47(V) metal–organic frameworks: a combination of molecular simulations and microcalorimetry/gravimetry measurements

(2010) N. Rosenbach Jr et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Using molecular simulation to characterise metal–organic frameworks for adsorption applications

(2009) Tina Düren et al.   CHEMICAL SOCIETY REVIEWS

Industrial applications of metal–organic frameworks

(2009) Alexander U. Czaja et al.   CHEMICAL SOCIETY REVIEWS

Selective gas adsorption and separation in metal–organic frameworks

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

Enhanced CO2Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules

(2009) A. Özgür Yazaydın et al.   CHEMISTRY OF MATERIALS

Potential applications of metal-organic frameworks

(2009) Ryan J. Kuppler et al.   COORDINATION CHEMISTRY REVIEWS

Molecular Simulation Study on the Separation of Xylene Isomers in MIL-47 Metal−Organic Frameworks

(2009) J. M. Castillo et al.   Journal of Physical Chemistry C

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

(2009) Almudena García-Sánchez et al.   Journal of Physical Chemistry C

Unraveling the Energetics and Dynamics of Ibuprofen in Mesoporous Metal−Organic Frameworks

(2009) Ravichandar Babarao et al.   Journal of Physical Chemistry C

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

(2009) Elena García-Pérez et al.   LANGMUIR

Investigating Cluster Formation in Adsorption of CO2, CH4, and Ar in Zeolites and Metal Organic Frameworks at Subcritical Temperatures

(2009) Rajamani Krishna et al.   LANGMUIR

Atomically detailed models of gas mixture diffusion through CuBTC membranes

(2009) Seda Keskin et al.   MICROPOROUS AND MESOPOROUS MATERIALS

A new perspective on the order-nalgorithm for computing correlation functions

(2009) David Dubbeldam et al.   MOLECULAR SIMULATION

Effects of the side pockets on gas separation in metal-organic framework Cu-BTC: a molecular simulation study

(2009) Chunyu Xue et al.   MOLECULAR SIMULATION

Metal Organic Framework Adsorbent for Biogas Upgrading

(2008) Simone Cavenati et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Unraveling the Argon Adsorption Processes in MFI-Type Zeolite

(2008) J. B. Parra et al.   Journal of Physical Chemistry C

Understanding Water Adsorption in Cu−BTC Metal−Organic Frameworks

(2008) Juan Manuel Castillo et al.   Journal of Physical Chemistry C

Separation and Molecular-Level Segregation of Complex Alkane Mixtures in Metal−Organic Frameworks

(2008) David Dubbeldam et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Diffusion and Separation of CO2and CH4in Silicalite, C168Schwarzite, and IRMOF-1: A Comparative Study from Molecular Dynamics Simulation

(2008) Ravichandar Babarao et al.   LANGMUIR

Testing the Accuracy of Correlations for Multicomponent Mass Transport of Adsorbed Gases in Metal−Organic Frameworks: Diffusion of H2/CH4Mixtures in CuBTC

(2008) Seda Keskin et al.   LANGMUIR

Effect of Open Metal Sites on Adsorption of Polar and Nonpolar Molecules in Metal−Organic Framework Cu-BTC

(2008) Jagadeswara R. Karra et al.   LANGMUIR

Molecular Simulations for Adsorptive Separation of CO2/CH4Mixture in Metal-Exposed, Catenated, and Charged Metal−Organic Frameworks

(2008) Ravichandar Babarao et al.   LANGMUIR

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

Hybrid porous solids: past, present, future

(2007) Gérard Férey   CHEMICAL SOCIETY REVIEWS