3.Al-Based Metal-Organic Framework MFM-300 and MIL-160 for SO2 Capture: A Molecular Simulation Study

Predictions of Hg0 and HgCl2 Adsorption Properties in UiO-66 from Flue Gas Using Molecular Simulations

(2019) Hongjian Tang et al.   Journal of Physical Chemistry C

Fluorinated MOF platform for selective removal and sensing of SO2 from flue gas and air

(2019) M. R. Tchalala et al.   Nature Communications

Impact of MOF Defects on the Binary Adsorption of CO2 and Water in UiO-66

(2019) Mohammad I. Hossain et al.   CHEMICAL ENGINEERING SCIENCE

Porous metal–organic frameworks as emerging sorbents for clean air

(2019) Xue Han et al.   Nature Reviews Chemistry

Metal–Organic Frameworks with Potential Application for SO2 Separation and Flue Gas Desulfurization

(2019) Philipp Brandt et al.   ACS Applied Materials & Interfaces

Rietveld Refinement of MIL-160 and its Structural Flexibility upon H2O and N2 Adsorption

(2018) Mohammad Wahiduzzaman et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Role of CuO in improving NH 3 and SO 2 capture on nanoporous Fe 2 O 3 sorbents

(2018) Xiaowei Ma et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

A promising metal–organic framework (MOF), MIL-96(Al), for CO2 separation under humid conditions

(2018) Virginie Benoit et al.   Journal of Materials Chemistry A

DMOF-1 as a Representative MOF for SO2 Adsorption in both Humid and Dry Conditions

(2018) Julian T. Hungerford et al.   Journal of Physical Chemistry C

Advancement in porous adsorbents for post-combustion CO2 capture

(2018) Arindam Modak et al.   MICROPOROUS AND MESOPOROUS MATERIALS

SO 2 interference on separation performance of amine-containing facilitated transport membranes for CO 2 capture from flue gas

(2017) Dongzhu Wu et al.   JOURNAL OF MEMBRANE SCIENCE

Size-Matching Ligand Insertion in MOF-74 for Enhanced CO2 Capture under Humid Conditions

(2017) Bong Lim Suh et al.   Journal of Physical Chemistry C

Adsorption and Separation of N2/CH4/CO2/SO2 Gases in Disordered Carbons Obtained Using Hybrid Reverse Monte Carlo Simulations

(2017) Xuan Peng et al.   Journal of Physical Chemistry C

Selective Adsorption of Sulfur Dioxide in a Robust Metal-Organic Framework Material

(2016) Mathew Savage et al.   ADVANCED MATERIALS

pyIAST: Ideal adsorbed solution theory (IAST) Python package

(2016) Cory M. Simon et al.   COMPUTER PHYSICS COMMUNICATIONS

Stability of an Al-Fumarate MOF and Its Potential for CO2 Capture from Wet Stream

(2016) Juliana A. Coelho et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Functionalization of carbon silica composites with active metal sites for NH 3 and SO 2 adsorption

(2016) Dushyant Barpaga et al.   MICROPOROUS AND MESOPOROUS MATERIALS

The Cambridge Structural Database

(2016) Colin R. Groom et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Metal Organic Framework: Design of Hydrophilic Metal Organic Framework Water Adsorbents for Heat Reallocation (Adv. Mater. 32/2015)

(2015) Amandine Cadiau et al.   ADVANCED MATERIALS

Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory

(2015) Krista S. Walton et al.   AICHE JOURNAL

Competitive Coadsorption of CO2 with H2O, NH3, SO2, NO, NO2, N2, O2, and CH4 in M-MOF-74 (M = Mg, Co, Ni): The Role of Hydrogen Bonding

(2015) Kui Tan et al.   CHEMISTRY OF MATERIALS

DFT-Derived Force Fields for Modeling Hydrocarbon Adsorption in MIL-47(V)

(2015) Ambarish R. Kulkarni et al.   LANGMUIR

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

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

CO2 capture from humid flue gases and humid atmosphere using a microporous coppersilicate

(2015) S. J. Datta et al.   SCIENCE

How Water Fosters a Remarkable 5-Fold Increase in Low-Pressure CO2 Uptake within Mesoporous MIL-100(Fe)

(2012) Estelle Soubeyrand-Lenoir et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host

(2012) Sihai Yang et al.   Nature Chemistry

Development of an Optimized Intermolecular Potential for Sulfur Dioxide

(2011) MaryBeth H. Ketko et al.   JOURNAL OF PHYSICAL CHEMISTRY B

MOF-74 building unit has a direct impact on toxic gas adsorption

(2010) T. Grant Glover et al.   CHEMICAL ENGINEERING SCIENCE

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

Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions

(2008) T. J. H. Vlugt et al.   Journal of Chemical Theory and Computation