Influence of adsorption thermodynamics on guest diffusivities in nanoporous crystalline materials

Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer Networks

(2013) Weigang Lu et al.   Journal of Physical Chemistry C

Impact of Molecular Clustering inside Nanopores on Desorption Processes

(2013) Manuel Tsotsalas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers

(2012) David Dubbeldam et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

High Propene/Propane Selectivity in Isostructural Metal-Organic Frameworks with High Densities of Open Metal Sites

(2012) Youn-Sang Bae et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Microporous metal–organic frameworks for storage and separation of small hydrocarbons

(2012) Yabing He et al.   CHEMICAL COMMUNICATIONS

Diffusion in porous crystalline materials

(2012) Rajamani Krishna   CHEMICAL SOCIETY REVIEWS

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

(2012) Emmanuel Haldoupis et al.   CHEMPHYSCHEM

Metal–organic frameworks with potential for energy-efficient adsorptive separation of light hydrocarbons

(2012) Yabing He et al.   Energy & Environmental Science

Separation of C6 Paraffins Using Zeolitic Imidazolate Frameworks: Comparison with Zeolite 5A

(2012) David Peralta et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Investigating the influence of diffusional coupling on mixture permeation across porous membranes

(2012) Rajamani Krishna et al.   JOURNAL OF MEMBRANE SCIENCE

Cu-TDPAT, an rht-Type Dual-Functional Metal–Organic Framework Offering Significant Potential for Use in H2 and Natural Gas Purification Processes Operating at High Pressures

(2012) Haohan Wu et al.   Journal of Physical Chemistry C

Investigating the Relative Influences of Molecular Dimensions and Binding Energies on Diffusivities of Guest Species Inside Nanoporous Crystalline Materials

(2012) Rajamani Krishna et al.   Journal of Physical Chemistry C

Unexpected Molecular Sieving Properties of Zeolitic Imidazolate Framework-8

(2012) Chen Zhang et al.   Journal of Physical Chemistry Letters

CO2 Dynamics in a Metal–Organic Framework with Open Metal Sites

(2012) Xueqian Kong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Preparation of Ni-MOF-74 membrane for CO2 separation by layer-by-layer seeding technique

(2012) Dong-Joo Lee et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites

(2012) E. D. Bloch et al.   SCIENCE

Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions

(2012) Shengchang Xiang et al.   Nature Communications

Investigating the validity of the Bosanquet formula for estimation of diffusivities in mesopores

(2011) Rajamani Krishna et al.   CHEMICAL ENGINEERING SCIENCE

Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

(2011) Jarad A. Mason et al.   Energy & Environmental Science

Investigating the Validity of the Knudsen Prescription for Diffusivities in a Mesoporous Covalent Organic Framework

(2011) Rajamani Krishna et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Investigating the potential of MgMOF-74 membranes for CO2 capture

(2011) Rajamani Krishna et al.   JOURNAL OF MEMBRANE SCIENCE

Selective Binding of O2over N2in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites

(2011) Eric D. Bloch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal−Organic Frameworks as Adsorbents for Hydrogen Purification and Precombustion Carbon Dioxide Capture

(2011) Zoey R. Herm et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorption of Ethane, Ethylene, Propane, and Propylene on a Magnesium-Based Metal–Organic Framework

(2011) Zongbi Bao et al.   LANGMUIR

A rationalization of the Type IV loading dependence in the Kärger–Pfeifer classification of self-diffusivities

(2011) Rajamani Krishna et al.   MICROPOROUS AND MESOPOROUS MATERIALS

In silico screening of metal–organic frameworks in separation applications

(2011) Rajamani Krishna et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Letter to the Editor

(2010) Rajamani Krishna et al.   AICHE JOURNAL

In situ study on molecular diffusion phenomena in nanoporous catalytic solids

(2010) Christian Chmelik et al.   CHEMICAL SOCIETY REVIEWS

Adsorption of CO2 and CH4 on a magnesium-based metal organic framework

(2010) Zongbi Bao et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

In silico screening of zeolite membranes for CO2 capture

(2010) Rajamani Krishna et al.   JOURNAL OF MEMBRANE SCIENCE

Describing Mixture Diffusion in Microporous Materials under Conditions of Pore Saturation

(2010) Rajamani Krishna et al.   Journal of Physical Chemistry C

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

(2010) Rajamani Krishna et al.   Journal of Physical Chemistry C

Adsorption Sites and Binding Nature of CO2 in Prototypical Metal−Organic Frameworks: A Combined Neutron Diffraction and First-Principles Study

(2010) Hui Wu et al.   Journal of Physical Chemistry Letters

Highlighting a Variety of Unusual Characteristics of Adsorption and Diffusion in Microporous Materials Induced by Clustering of Guest Molecules

(2010) Rajamani Krishna et al.   LANGMUIR

Hydrogen Bonding Effects in Adsorption of Water−Alcohol Mixtures in Zeolites and the Consequences for the Characteristics of the Maxwell−Stefan Diffusivities

(2010) Rajamani Krishna 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

A molecular dynamics investigation of the diffusion characteristics of cavity-type zeolites with 8-ring windows

(2010) Rajamani Krishna et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Mass Transfer in a Nanoscale Material Enhanced by an Opposing Flux

(2010) Christian Chmelik et al.   PHYSICAL REVIEW LETTERS

Self and Transport Diffusivity of CO2 in the Metal−Organic Framework MIL-47(V) Explored by Quasi-elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

(2009) Fabrice Salles et al.   ACS Nano

Transport Diffusivity of CO2 in the Highly Flexible Metal-Organic Framework MIL-53(Cr)

(2009) Fabrice Salles et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Unified Maxwell–Stefan description of binary mixture diffusion in micro- and meso-porous materials

(2009) R. Krishna et al.   CHEMICAL ENGINEERING SCIENCE

Describing the Diffusion of Guest Molecules Inside Porous Structures

(2009) Rajamani Krishna   Journal of Physical Chemistry C

Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene

(2009) Kunhao Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

A molecular simulation study of commensurate–incommensurate adsorption ofn-alkanes in cobalt formate frameworks

(2009) R. Krishna et al.   MOLECULAR SIMULATION

Onsager coefficients for binary mixture diffusion in nanopores

(2008) R. Krishna et al.   CHEMICAL ENGINEERING SCIENCE

An investigation of the characteristics of Maxwell–Stefan diffusivities of binary mixtures in silica nanopores

(2008) R. Krishna et al.   CHEMICAL ENGINEERING SCIENCE

Inflection in the loading dependence of the Maxwell–Stefan diffusivity of iso-butane in MFI zeolite

(2008) C. Chmelik et al.   CHEMICAL PHYSICS LETTERS

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

(2008) Berend Smit et al.   CHEMICAL REVIEWS

Zeolite membranes – Recent developments and progress

(2008) Juergen Caro et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations

(2008) C. Chmelik et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks

(2007) Krista S. Walton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Insights into diffusion of gases in zeolites gained from molecular dynamics simulations

(2007) R. Krishna et al.   MICROPOROUS AND MESOPOROUS MATERIALS