Understanding MOF flexibility: An analysis focused on pillared layer MOFs as a model system
Flexible porous frameworks are at the forefront of materials research. A unique feature is
their ability to open and close their pores in an adaptive manner induced by chemical and …
their ability to open and close their pores in an adaptive manner induced by chemical and …
Development of computational methodologies for metal–organic frameworks and their application in gas separations
Under the impetus of some breakthrough studies, 1− 6 associated research on metal−
organic frameworks (MOFs) has rapidly developed into one of the highly unique areas in …
organic frameworks (MOFs) has rapidly developed into one of the highly unique areas in …
Metal–organic frameworks in mixed-matrix membranes for gas separation
HBT Jeazet, C Staudt, C Janiak - Dalton Transactions, 2012 - pubs.rsc.org
Mixed-matrix membranes (MMMs) with metal–organic frameworks (MOFs) as additives
(fillers) exhibit enhanced gas permeabilities and possibly also selectivities when compared …
(fillers) exhibit enhanced gas permeabilities and possibly also selectivities when compared …
Metal organic framework mixed matrix membranes for gas separations
R Adams, C Carson, J Ward, R Tannenbaum… - Microporous and …, 2010 - Elsevier
Mixed matrix membranes (MMMs) for gas separations are traditionally comprised of zeolites
dispersed in a polymer matrix in order to improve desired penetrant permeability and …
dispersed in a polymer matrix in order to improve desired penetrant permeability and …
Surface chemistry of metal–organic frameworks at the liquid–solid interface
Metal–organic frameworks (MOFs) are a fascinating class of novel inorganic–organic hybrid
materials. They are essentially based on classic coordination chemistry and hold much …
materials. They are essentially based on classic coordination chemistry and hold much …
Progress, opportunities, and challenges for applying atomically detailed modeling to molecular adsorption and transport in metal− organic framework materials
Metal− organic framework (MOF) materials are a class of nanoporous materials that have
many potential advantages over traditional nanoporous materials for adsorption and other …
many potential advantages over traditional nanoporous materials for adsorption and other …
Adsorption mechanism and uptake of methane in covalent organic frameworks: theory and experiment
We determined the methane (CH4) uptake (at 298 K and 1 to 100 bar pressure) for a variety
of covalent organic frameworks (COFs), including both two-dimensional (COF-1, COF-5 …
of covalent organic frameworks (COFs), including both two-dimensional (COF-1, COF-5 …
Molecular simulation of the CH4/CO2/H2O adsorption onto the molecular structure of coal
JH Xiang, FG Zeng, HZ Liang, B Li, XX Song - Science China Earth …, 2014 - Springer
Clarification of the molecular mechanism underlying the interaction of coal with CH4, CO2,
and H2O molecules is the basis for an in-depth understanding of the states of fluid in coal …
and H2O molecules is the basis for an in-depth understanding of the states of fluid in coal …
Selecting metal organic frameworks as enabling materials in mixed matrix membranes for high efficiency natural gas purification
The addition of nonpolymeric particles to polymer films represents an important avenue for
enhancing the performance of polymeric membranes for gas separations. We examine the …
enhancing the performance of polymeric membranes for gas separations. We examine the …
Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. II. Effect of polar and …
A Torrisi, C Mellot-Draznieks, RG Bell - The Journal of chemical …, 2010 - pubs.aip.org
Intermolecular interactions between the CO 2 molecule and a range of functionalized
aromatic molecules have been investigated using density functional theory. The work is …
aromatic molecules have been investigated using density functional theory. The work is …