In silico screening and design strategies of ethane‐selective metal–organic frameworks for ethane/ethylene separation

Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane–Ethylene Separation

(2020) Huajun Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorptive separation of C2H6/C2H4 on metal-organic frameworks (MOFs) with pillared-layer structures

(2020) Huan Xiang et al.   SEPARATION AND PURIFICATION TECHNOLOGY

A Robust Ethane-Trapping Metal–Organic Framework with a High Capacity for Ethylene Purification

(2019) Omid T. Qazvini et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal–Organic Framework Materials for the Separation and Purification of Light Hydrocarbons

(2019) Wen‐Gang Cui et al.   ADVANCED MATERIALS

Alternatives to Cryogenic Distillation: Advanced Porous Materials in Adsorptive Light Olefin/Paraffin Separations

(2019) Yuxiang Wang et al.   Small

Identification Schemes for Metal–Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis

(2019) Benjamin J. Bucior et al.   CRYSTAL GROWTH & DESIGN

Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

(2019) Yongchul G. Chung et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Synthesis and modification of moisture-stable coordination pillared-layer metal-organic framework (CPL-MOF) CPL-2 for ethylene/ethane separation

(2019) Huan Xiang et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Selective adsorption of ethane over ethylene on M(bdc)(ted)0.5 (M = Co, Cu, Ni, Zn) metal-organic frameworks (MOFs)

(2019) Huan Xiang et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Selective Adsorption of Ethane over Ethylene in PCN-245: Impacts of Interpenetrated Adsorbent

(2018) Daofei Lv et al.   ACS Applied Materials & Interfaces

Competitive Binding of Ethylene, Water, and Carbon Monoxide in Metal–Organic Framework Materials with Open Cu Sites

(2018) Wenqin You et al.   Journal of Physical Chemistry C

Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal–Organic Frameworks

(2018) Rui-Biao Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational screening of hydrophobic metal–organic frameworks for the separation of H2S and CO2 from natural gas

(2018) Zhiwei Qiao et al.   Journal of Materials Chemistry A

Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

(2018) Libo Li et al.   SCIENCE

Computational screening of MOFs for C 2 H 6 /C 2 H 4 and C 2 H 6 /CH 4 separations

(2016) Cigdem Altintas et al.   CHEMICAL ENGINEERING SCIENCE

Ethane selective adsorbent Ni(bdc)(ted)0.5 with high uptake and its significance in adsorption separation of ethane and ethylene

(2016) Wanwen Liang et al.   CHEMICAL ENGINEERING SCIENCE

High-Throughput Screening to Investigate the Relationship between the Selectivity and Working Capacity of Porous Materials for Propylene/Propane Adsorptive Separation

(2016) Byung Chul Yeo et al.   Journal of Physical Chemistry C

Screening of Copper Open Metal Site MOFs for Olefin/Paraffin Separations Using DFT-Derived Force Fields

(2016) Ambarish R. Kulkarni et al.   Journal of Physical Chemistry C

Experimental and computational study of ethane and ethylene adsorption in the MIL-53(Al) metal organic framework

(2016) Rui P.P.L. Ribeiro et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Seven chemical separations to change the world

(2016) David S. Sholl et al.   NATURE

A metal-organic framework-based splitter for separating propylene from propane

(2016) A. Cadiau et al.   SCIENCE

In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO2 separation

(2016) Zhiwei Qiao et al.   Journal of Materials Chemistry A

In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm

(2016) Y. G. Chung et al.   Science Advances

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Efficient purification of ethene by an ethane-trapping metal-organic framework

(2015) Pei-Qin Liao et al.   Nature Communications

Ethane Selective IRMOF-8 and Its Significance in Ethane–Ethylene Separation by Adsorption

(2014) João Pires et al.   ACS Applied Materials & Interfaces

Rapid and Accurate Machine Learning Recognition of High Performing Metal Organic Frameworks for CO2 Capture

(2014) Michael Fernandez et al.   Journal of Physical Chemistry Letters

Supramolecular binding and separation of hydrocarbons within a functionalized porous metal–organic framework

(2014) Sihai Yang et al.   Nature Chemistry

Nonporous Titanium–Oxo Molecular Clusters That Reversibly and Selectively Adsorb Carbon Dioxide

(2013) Keunil Hong et al.   INORGANIC CHEMISTRY

Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal–Organic Framework

(2013) Ilne Grobler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Chemistry and Applications of Metal-Organic Frameworks

(2013) H. Furukawa et al.   SCIENCE

Selective adsorption of ethylene over ethane and propylene over propane in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn)

(2013) Stephen J. Geier et al.   Chemical Science

Selective adsorption of olefin–paraffin on diamond-like frameworks: diamondyne and PAF-302

(2013) Ling Huang et al.   Journal of Materials Chemistry A

A robust doubly interpenetrated metal–organic framework constructed from a novel aromatic tricarboxylate for highly selective separation of small hydrocarbons

(2012) Yabing He et al.   CHEMICAL COMMUNICATIONS

Structure–property relationships of porous materials for carbon dioxide separation and capture

(2012) Christopher E. Wilmer et al.   Energy & Environmental Science

In silico screening of carbon-capture materials

(2012) Li-Chiang Lin et al.   NATURE MATERIALS

Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate

(2011) Xiqu Wang et al.   INORGANIC CHEMISTRY

Control of catenation in CuTATB-n metal–organic frameworks by sonochemical synthesis and its effect on CO2 adsorption

(2011) Jun Kim et al.   JOURNAL OF MATERIALS CHEMISTRY

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations

(2010) Emmanuel Haldoupis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ethane/Ethene Separation Turned on Its Head: Selective Ethane Adsorption on the Metal−Organic Framework ZIF-7 through a Gate-Opening Mechanism

(2010) Canan Gücüyener et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Selective gas adsorption and separation in metal–organic frameworks

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

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

(2008) Ravichandar Babarao et al.   LANGMUIR