Computational Screening of Metal–Organic Framework Membranes for the Separation of 15 Gas Mixtures

Highly efficient H 2 /CO 2 separation via an ultrathin metal-organic framework membrane

(2018) Jiamin Hou et al.   CHEMICAL ENGINEERING SCIENCE

Effect of preparation conditions on Mn x O y /Al 2 O 3 sorbent for H 2 S removal from high-temperature synthesis gas

(2018) Haifeng Li et al.   FUEL

High-throughput computational screening of metal-organic framework membranes for upgrading of natural gas

(2018) Zhiwei Qiao et al.   JOURNAL OF MEMBRANE SCIENCE

Computational Screening of Metal–Organic Frameworks for Membrane-Based CO2/N2/H2O Separations: Best Materials for Flue Gas Separation

(2018) Hilal Daglar et al.   Journal of Physical Chemistry C

Recent advances in gas storage and separation using metal–organic frameworks

(2018) Hao Li et al.   Materials Today

Mixed matrix formulations with MOF molecular sieving for key energy-intensive separations

(2018) Gongping Liu et al.   NATURE MATERIALS

Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations

(2018) Cigdem Altintas et al.   Journal of Materials Chemistry A

High-Throughput Screening of MOF Adsorbents and Membranes for H2 Purification and CO2 Capture

(2018) Gokay Avci et al.   ACS Applied Materials & Interfaces

Role of Pore Chemistry and Topology in the CO2 Capture Capabilities of MOFs: From Molecular Simulation to Machine Learning

(2018) Ryther Anderson et al.   CHEMISTRY OF MATERIALS

Enhancing the mechanical strength and CO2/CH4 separation performance of polymeric membranes by incorporating amine-appended porous polymers

(2018) Yanqin Yang et al.   JOURNAL OF MEMBRANE SCIENCE

Highly selective gas separation membrane using in situ amorphised metal–organic frameworks

(2017) Aylin Kertik et al.   Energy & Environmental Science

Enhanced gas separation performance using mixed matrix membranes containing zeolite T and 6FDA-durene polyimide

(2017) Norwahyu Jusoh et al.   JOURNAL OF MEMBRANE SCIENCE

Reversed thermo-switchable molecular sieving membranes composed of two-dimensional metal-organic nanosheets for gas separation

(2017) Xuerui Wang et al.   Nature Communications

Hydrogen Sulfide and Ionic Liquids: Absorption, Separation, and Oxidation

(2017) Cinzia Chiappe et al.   Topics in Current Chemistry

Chemically intuited, large-scale screening of MOFs by machine learning techniques

(2017) Giorgos Borboudakis et al.   npj Computational Materials

Recent developments in zeolite membranes for gas separation

(2016) Nikolay Kosinov et al.   JOURNAL OF MEMBRANE SCIENCE

Screening Materials Relevant for Energy Technologies

(2015) Berend Smit   CHIMIA

Development of the Transferable Potentials for Phase Equilibria Model for Hydrogen Sulfide

(2015) Mansi S. Shah et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals

(2014) Yongchul G. Chung et al.   CHEMISTRY OF MATERIALS

Influence of Diffusivity and Sorption on Helium and Hydrogen Separations in Hydrocarbon, Silicon, and Fluorocarbon-Based Polymers

(2014) Zachary P. Smith et al.   MACROMOLECULES

Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption

(2013) Eugene S. Kadantsev et al.   Journal of Physical Chemistry Letters

A feasible energy-saving analysis of a new system for CO2cryogenic capture

(2013) Shuhong Li et al.   International Journal of Low-Carbon Technologies

Accelerating Applications of Metal–Organic Frameworks for Gas Adsorption and Separation by Computational Screening of Materials

(2012) Taku Watanabe et al.   LANGMUIR

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

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

Influence of temperature on the upper bound: Theoretical considerations and comparison with experimental results

(2010) Brandon W. Rowe et al.   JOURNAL OF MEMBRANE SCIENCE

The upper bound revisited

(2008) Lloyd M. Robeson   JOURNAL OF MEMBRANE SCIENCE