The metal-organic frameworks (MOFs) MIL-100(Fe), Cu-BTC and CPO-27(Ni) were synthesised in 1 kg batches. The materials were then formed in two different industrially relevant ways. Firstly, dry granulation was used to produce pellets which were sieved to give material with a 300-1000 μm size, and the fines were subsequently recycled to mimic a large scale industrial process. Secondly, wet granu...

Bacillus subtilis lipase (BSL2) has been successfully immobilized into a Cu-BTC based hierarchically porous metal-organic framework material for the first time. The Cu-BTC hierarchically porous MOF material with large mesopore apertures is prepared conveniently by using a template-free strategy under mild conditions. The immobilized BSL2 presents high enzymatic activity and perfect reusability ...

Abstract To utilize Cu-benzene-1,3,5-tricarboxylate (Cu-BTC) adsorbed lubricant oils in the self-lubricating field, adsorption properties of Cu-BTC on different 1-olefins must be clarified. In this work, 1-hexene, 1-octene, 1-nonene, 1-decene, 1-undecene, and 1-dodecene were studied by Monte Carlo method experimentally. The limit for n-olefins was determined as 1-undecene isotherms. This sugges...

The synthesis of highly crystalline macro-meso-microporous monolithic Cu3(btc)2 (HKUST-1; btc(3-) = benzene-1,3,5-tricarboxylate) is demonstrated by direct conversion of Cu(OH)2-based monoliths while preserving the characteristic macroporous structure. The high mechanical strength of the monoliths is promising for possible applications to continuous flow reactors.

Water absorption in the metal-organic framework (MOF) material Cu-BTC, up to a concentration of 3.5 H2O per Cu ion, is studied via density functional theory at the meta-GGA + U level. The stable arrangements of water molecules show chains of hydrogen-bonded water molecules and a tendency to form closed cages at high concentration. Water clusters are stabilized primarily by a combination of wate...

The sensing properties of the paddlewheel-type metal dimer (M-BTC: M = Fe, Ni, Cu, Zn, and Pd) toward SO2 gas were theoretically investigated using density functional theory (DFT) at M06-L level theory. Single-point calculations carried M06 to correct energetic HOMO–LUMO energy gap. O-bound adsorption complex on center paddlewheels is found be thermodynamically favorable than S-bound ones. tren...

Rietveld analyses of neutron powder diffraction data of D2 in Cu3(BTC)2, where BTC = 1,3,5-benzenetricarboxylate, reveals the location and progressive filling of six distinct D2 sites within the nanopore structure. Location of the primary site at the coordinatively unsaturated Cu atoms provides direct structural evidence of the potential importance of such metal sites to hydrogen storage. Compe...

Seven new coordination polymers, [Co(3-bpcd)(1,3-BDC)(H(2)O)(3)]·H(2)O (1), [Co(3-bpcd)(1,2-BDC)(H(2)O)]·H(2)O (2), [Co(3)(3-bpcd)(1,2,4-BTC)(2)(H(2)O)(4)]·4H(2)O (3), [Co(3-bpcd)(NPH)]·2H(2)O (4), [Cu(3-bpcd)(1,3-BDC)] (5), [Cu(3-bpcd)(1,2-BDC)] (6), [Cu(3-bpcd)(1,3,5-HBTC)(H(2)O)](2)·2H(2)O (7) (3-bpcd = N,N'-bis(pyridin-3-yl)cyclohexane-1,4-dicarboxamide, 1,3-H(2)BDC = 1,3-benzenedicarboxyli...

The formation of [Cu(3)(btc)(2)] (HKUST-1; btc = 1,3,5-benzenetricarboxylate) nanocrystals from a super-saturated mother solution at room temperature was monitored by time-resolved light scattering (TLS); the system is characterized by a rapid growth up to a size limit of 200 nm within a few minutes, and the size and shape of the crystallites were also determined by scanning electron microscopy...

Our study examined the mechanism of oxygen reduction reactions (ORR) at square paddle-wheel cage active site TM-BTC metal-organic frameworks (MOFs), where TM is a transition metal, Mn, Fe, or Cu. We used combination density functional theory (DFT) and microkinetic calculations to investigate this mechanism. By using small cluster for modeling structure, we successfully reproduced experimental t...