Rapid Cycling and Exceptional Yield in a Metal-Organic Framework Water Harvester.

Sorbent-assisted water harvesting from air represents an attractive way to address water scarcity in arid climates. Hitherto, sorbents developed for this technology have exclusively been designed to perform one water harvesting cycle (WHC) per day, but the productivities attained with this approach cannot reasonably meet the rising demand for drinking water. This work shows that a microporous aluminum-based metal-organic framework, MOF-303, can perform an adsorption-desorption cycle within minutes under a mild temperature swing, which opens the way for high-productivity water harvesting through rapid, continuous WHCs. Additionally, the favorable dynamic water sorption properties of MOF-303 allow it to outperform other commercial sorbents displaying excellent steady-state characteristics under similar experimental conditions. Finally, these findings are implemented in a new water harvester capable of generating 1.3 L kgMOF -1 day-1 in an indoor arid environment (32% relative humidity, 27 °C) and 0.7 L kgMOF -1 day-1 in the Mojave Desert (in conditions as extreme as 10% RH, 27 °C), representing an improvement by 1 order of magnitude over previously reported devices. This study demonstrates that creating sorbents capable of rapid water sorption dynamics, rather than merely focusing on high water capacities, is crucial to reach water production on a scale matching human consumption

Three-Dimensional Phthalocyanine Metal-Catecholates for High Electrochemical Carbon Dioxide Reduction.

The synthesis of a new anionic 3D metal-catecholate framework, termed MOF-1992, is achieved by linking tetratopic cobalt phthalocyanin-2,3,9,10,16,17,23,24-octaol linkers with Fe3(-C2O2-)6(OH2)2 trimers into an extended framework of roc topology. MOF-1992 exhibits sterically accessible Co active sites together with charge transfer properties. Cathodes based on MOF-1992 and carbon black (CB) display a high coverage of electroactive sites (270 nmol cm-2) and a high current density (-16.5 mA cm-2; overpotential, -0.52 V) for the CO2 to CO reduction reaction in water (faradaic efficiency, 80%). Over the 6 h experiment, MOF-1992/CB cathodes reach turnover numbers of 5800 with turnover frequencies of 0.20 s-1 per active site

Thermal maps of gases in heterogeneous reactions.

More than 85 per cent of all chemical industry products are made using catalysts1,2, the overwhelming majority of which are heterogeneous catalysts2 that function at the gas–solid interface3. Consequently, much effort is invested in optimizing the design of catalytic reactors, usually by modelling4 the coupling between heat transfer, fluid dynamics and surface reaction kinetics. The complexity involved requires a calibration of model approximations against experimental observations5,6, with temperature maps being particularly valuable because temperature control is often essential for optimal operation and because temperature gradients contain information about the energetics of a reaction. However, it is challenging to probe the behaviour of a gas inside a reactor without disturbing its flow, particularly when trying also to map the physical parameters and gradients that dictate heat and mass flow and catalytic efficiency1,2,3,4,5,6,7,8,9. Although optical techniques10,11,12 and sensors13,14 have been used for that purpose, the former perform poorly in opaque media and the latter perturb the flow. NMR thermometry can measure temperature non-invasively, but traditional approaches applied to gases produce signals that depend only weakly on temperature15,16 are rapidly attenuated by diffusion16,17 or require contrast agents18 that may interfere with reactions. Here we present a new NMR thermometry technique that circumvents these problems by exploiting the inverse relationship between NMR linewidths and temperature caused by motional averaging in a weak magnetic field gradient. We demonstrate the concept by non-invasively mapping gas temperatures during the hydrogenation of propylene in reactors packed with metal nanoparticles and metal–organic framework catalysts, with measurement errors of less than four per cent of the absolute temperature. These results establish our technique as a non-invasive tool for locating hot and cold spots in catalyst-packed gas–solid reactors, with unprecedented capabilities for testing the approximations used in reactor modelling

Maturity assessment of laser powder bed fusion process chain modelling and simulation

This paper presents case studies of additive manufacturing process chains including laser powder bed fusion and post-processes. The presented case studies are used to assess the maturity of the manufacturing process chains using a Modelling and Simulation Readiness Level Scale. The results from the assessment have shown that the maturity of the modelling and simulation of laser powder bed fusion process chains lies between the stage of applied research and development and the stage of being instrumental, with high reliance on modelling and simulation experts. This means that the laser powder bed fusion (L-PBF) process chain modelling and simulation can support low-risk development, with high reliance on modelling and simulation experts, making them suitable for qualitative assessment, alternative design/solution ranking, defining the design structure, constraining the design space and replacing some experimental trials. This shows that further maturation is required before the modelling and simulation methods and codes are well recognised as best practice in the industry and are part of operational process control at any stage of the supply chain

Process chain simulation of laser powder bed fusion including heat treatment and surface hardening

Additive manufacturing (AM) has enabled the creation of geometrically complex parts for a range of industries. However, the nature of AM often requires multiple post processing techniques to be carried out to reach the desired material properties or required surface finish. This often involves heat treatment (HT), shot peening (SP) or laser shock peening (LSP). To date, hardly any process chain modelling has been carried out on manufacturing applications with AM. This investigation focuses on the finite element (FE) modelling of the complete manufacturing process chain of an AM impeller made of IN718, including the AM, HT, LSP and SP processes. The particular AM process applied to build the impeller is laser powder bed fusion (L-PBF). Each FE process is validated individually against experimental data before being applied to the impeller process chain. The validated data from each process is mapped to the next process in the chain to investigate the combined effects of manufacturing and post processing techniques. Results have shown that high tensile residual stresses induced by AM can be reduced by approximately 75% by applying HT. SP and LSP processes can further modify remaining tensile residual stresses after HT by inducing a layer of compressive stresses at the surface. In summary, this research work has demonstrated that the simulation of AM process chains using finite element techniques is sufficiently mature to support the product and process development of industrial AM components

Bis[2-amino-6-methyl­pyrimidin-4(1H)-one-κ2 N 3,O]dichloridocadmium(II)

In the title compound, [CdCl2(C5H7N3O)2], the CdII atom is six-coordinated by two heterocyclic N atoms [Cd—N = 2.261 (2) and 2.286 (2) Å] and two O atoms [Cd—O = 2.624 (2) and 2.692 (2) Å] from two bidentate chelate 2-amino-6-methyl­pyrimidin-4(1H)-one ligands and two chloride ions [Cd—Cl = 2.4674 (6) and 2.4893 (7) Å]. The crystal packing is characterized by an open-framework architecture with the crystal packing stabilized by inter­molecular N—H⋯Cl and N—H⋯O hydrogen bonds

Reticular synthesis and the design of new materials

The long-standing challenge of designing and constructing new crystalline solid-state materials from molecular building blocks is just beginning to be addressed with success. A conceptual approach that requires the use of secondary building units to direct the assembly of ordered frameworks epitomizes this process: we call this approach reticular synthesis. This chemistry has yielded materials designed to have predetermined structures, compositions and properties. In particular, highly porous frameworks held together by strong metal-oxygen-carbon bonds and with exceptionally large surface area and capacity for gas storage have been prepared and their pore metrics systematically varied and functionalized.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/62718/1/nature01650.pd

Residual stress measurement round robin on an electron beam welded joint between austenitic stainless steel 316L(N) and ferritic steel P91

This paper is a research output of DMW-Creep project which is part of a national UK programme through the RCUK Energy programme and India's Department of Atomic Energy. The research is focussed on understanding the characteristics of welded joints between austenitic stainless steel and ferritic steel that are widely used in many nuclear power generating plants and petrochemical industries as well as conventional coal and gas-fired power systems. The members of the DMW-Creep project have under- taken parallel round robin activities measuring the residual stresses generated by a dissimilar metal weld (DMW) between AISI 316L(N) austenitic stainless steel and P91 ferritic-martensitic steel. Electron beam (EB) welding was employed to produce a single bead weld on a plate specimen and an additional smoothing pass (known cosmetic pass) was then introduced using a defocused beam. The welding re- sidual stresses have been measured by five experimental methods including (I) neutron diffraction (ND), (II) X-Ray diffraction (XRD), (III) contour method (CM), (IV) incremental deep hole drilling (iDHD) and (V) incremental centre hole drilling (iCHD). The round robin measurements of weld residual stresses are compared in order to characterise surface and sub-surface residual stresses comprehensively

A route to high surface area, porosity and inclusion of large molecules in crystals

One of the outstanding challenges in the field of porous materials is the design and synthesis of chemical structures with exceptionally high surface areas(1). Such materials are of critical importance to many applications involving catalysis, separation and gas storage. The claim for the highest surface area of a disordered structure is for carbon, at 2,030 m(2) g(-1) (ref. 2). Until recently, the largest surface area of an ordered structure was that of zeolite Y, recorded at 904 m(2) g(-1) (ref. 3). But with the introduction of metal-organic framework materials, this has been exceeded, with values up to 3,000 m(2) g(-1) (refs 4-7). Despite this, no method of determining the upper limit in surface area for a material has yet been found. Here we present a general strategy that has allowed us to realize a structure having by far the highest surface area reported to date. We report the design, synthesis and properties of crystalline Zn4O(1,3,5-benzenetribenzoate)(2), a new metal-organic framework with a surface area estimated at 4,500 m(2) g(-1). This framework, which we name MOF-177, combines this exceptional level of surface area with an ordered structure that has extra-large pores capable of binding polycyclic organic guest molecules-attributes not previously combined in one material.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/62609/1/nature02311.pd