A robust binary hydrogen-bonded supramolecular organic framework (SOF-7) has been synthesized by solvothermal reaction of 1,4-bis-(4-(3,5-dicyano2,6-dipyridyl)dihydropyridyl)benzene (1) and 5,5′-bis(azanediyl)-oxalyl-diisophthalic acid (2). Single crystal Xray diffraction analysis shows that SOF-7 comprises 2 and 1,4-bis-(4-(3,5-dicyano-2,6-dipyridyl)pyridyl)benzene (3); the latter formed in si...

Drastic changes can take place in the structure, dynamics, and thermodynamics of a fluid when it is confined to spaces of molecular dimensions, as compared to its bulk counterpart. Water confinement in the nanometer-scale channels and pores of inorganic open framework materials, such as zeolites, are of great scientific interest. Zeolites are crystalline aluminosilicates, with various controlle...

•COFs are shown to be frequently unstable in-plane mechanical shear•A method of COF monolith formation that enables hierarchical porosity is presented•Hierarchical mesopores enable improved gas uptake and selectivity•Hierarchical can accurately modeled via lattice-gas methods Porous materials used industrially as macroscopic pellets exhibiting interstitial space porosity. Although conventional ...

The nanoporous and tunable nature of metal− organic frameworks (MOFs) has made them promising adsorbents for water adsorption applications such as water harvesting and adsorptive heat pumps. In these applications, water adsorption properties in MOFs play a crucial role. However, understanding their structural defects and how defects influence adsorption thermodynamics remains limited to date. I...

The use of hydrogen as a future energy carrier is an essential part of future energy strategies; however, application as an energy carrier in vehicles and portable electronics is limited by problems with hydrogen storage.1 Two major strategies being pursued toward hydrogen storage for fuel cell applications are dissociative adsorption (DA) and associated adsorption (AA) of hydrogen. DA is the m...

•Anisotropic cellulose nanofibril foams are super-insulating also at high humidity•Moisture-induced swelling offsets thermal conductivity increase due to water uptake•Thermal boundary conductance decreases 6-fold by increasing inter-fibrillar gap•Thinner fibrils enhance phonon scattering and reduce the Efficient insulation using biobased materials could energy consumption minimize carbon footpr...

The force between two inert, planar surfaces in a liquid is discussed, focusing on the e ect of the reduction in the uid density between the surfaces. We use a density functional treatment of the uid, the results of which are veri ed by comparison with Grand Canonical Monte Carlo simulations. Our calculations reveal the existence of an attractive force between the surfaces, which at short and i...

•Distinguishing gating and pore-opening actions of flexible adsorbents•Tuning energy barrier avoiding pore opening for molecular sieving•Molecular sieving CO2/N2 CO2/CH4•Role host-guest interaction at the moment Molecular sieving, relying on simple size exclusion mechanism, is ideal adsorptive separation. While guest diffusion are generally judged by pore/aperture molecule sizes, precise determ...

The effect of light metal (M = Li, Be, Mg, and Al) decoration on the stability of metal organic framework MOF-5 and its hydrogen adsorption is investigated by ab initio and periodic density functional theory (DFT) calculations by employing models of the form BDC:M2:nH2 and MOF-5:M2:nH2, where BDC stands for the benzenedicarboxylate organic linker and MOF5 represents the primitive unit cell. The...