Separation of propylene and propane with a microporous metal–organic framework via equilibrium-kinetic synergetic effect

Adsorption separation of olefin and paraffin can greatly lower the energy consumption associated with the currently utilized distillation technique but remains a great challenge. Herein, we report the efficient separation of propylene (C₃H₆) and propane (C₃H₈) in a phosphate anion-functionalized metal–organic framework (MOF) ZnAtzPO₄ by synergetic effect of equilibrium and kinetics. The material features periodically expanded and contracted apertures decorated with electronegative groups, offering eligible pore shape and pore chemistry to effectively trap C₃H₆ under moderate isosteric heat of adsorption (27.5 kJ mol⁻¹) while obstruct the diffusion of C₃H₈. It simultaneously combines excellent thermodynamic selectivity (uptake ratio of 1.71) and kinetic selectivity (~31) for C₃H₆/C₃H₈ separation, meanwhile can be easily regenerated. Breakthrough experiment for C₃H₆/C₃H₈ gas mixture was conducted and confirmed the outstanding separation capability of ZnAtzPO₄. The equilibrium and kinetics cooperative C₃H₆/C₃H₈ adsorption separation was for the first time found in anion-functionalized MOFs, and further confirmed by computational studies.     

Non-coalescence and chain formation of droplets under an alternating current electric field

The dynamic behaviors of two droplets and droplet cluster under an alternating current (AC) electric field are investigated. Two droplets generally undergo transformation from complete coalescence to partial coalescence and finally to non-coalescence as the electric capillary number Ca_p increases. The critical electric capillary number Ca_pc for complete coalescence in the AC electric field remains unchanged and is twice as large as that in the direct current (DC) electric field when the frequency f ≥ 250 Hz. Charge transfer and reversal of electric field result in the reversal of the direction of electric force, which is the fundamental mechanism of non-coalescence of two droplets and chain formation in droplet cluster. The number of rebounds dramatically increases as f increases, promoting the stability of droplet chain. The droplet chains in the high-frequency AC electric field are longer and more stable than those in the low-frequency AC electric field.     

Study of filtered interphase heat transfer using highly resolved CFD–DEM simulations

Accurately predicting the complex inhomogeneous heat transfer behavior in gas–solid fluidized beds is of fundamental importance. In this work, we constitute an enhanced filtered interphase heat transfer coefficient (IHTC) closure by systematically filtering the dataset from highly resolved three-dimensional (3D) computational fluid dynamics–discrete element model simulations. Particularly, effects of several potential filtered variable markers on filtered IHTC predictions are examined by statistical analysis. We reveal the formulated filtered IHTC correction closure manifests a systematic dependence on filtered interphase temperature difference as an additional marker. The proposed closure shows good agreement with the filtered fine-grid simulation data in an a priori analysis. Moreover, the difference of filtered IHTC corrections deduced from 3D Euler–Euler and Euler–Lagrange simulations is quantified. Finally, the comparative analysis between our proposed filtered IHTC formulation and those in literature is implemented. This work holds a potential to facilitate the development of thermal gas–solid flow modeling.     

Surface plasmon resonance-induced Ag-BaTiO3 composites for catalytic performance

Ferroelectric BaTiO₃ was combined with Ag nanoparticles for piezocatalytic and photocatalytic viewpoints. Microstructural characterization (X-ray diffraction and electron microscopy images) revealed that the Ag was successfully bounded with BaTiO₃. X-ray photoelectron spectrum also confirmed the presence of Ag. Further, its performance was examined for dye degradation under visible light (for photocatalysis) and ultrasonication (for piezocatalysis). In both the catalysis processes, there was a significant improvement in Ag-loaded BaTiO₃ sample-based catalytic reactions. Catalytic performance was evaluated for multiple cycles and was found consistent. Scavenger tests were also performed to understand catalytic reactions.     

Effect of zirconia content and particle size on the properties of 3D-printed alumina-based ceramic cores

Alumina-based ceramic cores are used to manufacture the internal structures of hollow alloy blades, requiring both high precision and moderate properties. In this work, zirconia is regarded as a promoter to improve the mechanical properties of sintered ceramic. The effect of zirconia content and particle size on the microstructure and mechanical properties of ceramics was evaluated. The results indicate that the flexural strength of sintered ceramics reached the maximum of 14.5 ± 0.5 MPa when 20 wt% micron-sized (10 μm) zirconia (agglomerate size, consistent with the alumina particle size) was added, and 26.5±2.5 MPa when 15 wt% 0.3 μm zirconia was added. Zirconia with submicron-sized (0.3 μm) particles effectively filled the pores between alumina particles, thus leading to the maximum flexural strength with a relatively low content. The corresponding sintered ceramics had a bulk density of 2.0 g/cm³ and open porosity of 59.6%.     

Electro-reduction of Cu2O to Cu in urea/1-ethyl-3-methylimidazolium chloride

Journal of Applied Electrochemistry - Urea/1-ethyl-3-methylimidazolium chloride (urea-EMIC) was developed to electrodeposit Cu from Cu2O at room temperature. Density, viscosity and conductivity of...     

Investigation of packaging adhesive properties by molecular dynamics and experiments

Adhesive polymer is a common and important material used for packaging of microelectronics and microsystem by attaching dies onto packaging shell, and its mechanical property plays a vital role in isolating dies from the thermal stress of substrate. Therefore, it is extremely significant to evaluate the polymer property in a specific packaging process. The molecular dynamics (MD) simulation is conducted in this article to investigate the material properties of the cross-linked epoxy resin formed by epoxy resin component diglycidyl ether bisphenol A (DGEBA) and curing agent 1,6-Diaminohexane. The polymer network with conversion up to 87.5% is successfully generated and simulated by constant pressure-constant temperature ensemble (NPT) and canonical ensemble (NVT) at different temperatures of curing process. Glass transition temperature (T_g) and Young's modulus are extracted and the predicted material properties are in great agreement with the experimental data. The conclusion provides a guideline to design the special curing process for different adhesive requirements.     

Self-assembly of telechelic polymers bearing adamantane groups via host-guest inclusion complexes with cyclodextrin polymer

Self-assembly and supramolecular inclusion complexations between telechelic polymers bearing one or double adamantane groups and linear poly(β-cyclodextrin) (P(β-CD)) were investigated in water. An adamantane (Ada) attached to poly (acrylic acid) (PAA) was prepared by reversible addition-fragmentation chain transfer polymerization using s-1-dodecyl-s″ -(α,α′-dimethyl-α″-acetic acid) trithio-carbonate functionalized Ada with tert-butyl acrylate, followed by functional modification. Additionally, two Ada groups capped triblock copolymer F127 were obtained via an esterification reaction. The dynamic light scattering, transmission electron microscope and ¹H 2D NOSEY NMR spectroscopy were conducted to characterize the self-assembly behaviors. With the inclusion complexation of Ada/CD in 1:1 M ratio in water, the spherical micelles were enlarged at 25°C than that of the adamantyl polymer precursors. Due to the PPO segment of Ada-F127-Ada, the micelles aggregation showed temperature dependence from 4 to 37°C for precursor and corresponding inclusion complexation; while in Ada-PAA/P(β-CD) system, the hydrodynamic diameters decreased with pH decreasing.     

Prestructured MXene fillers with uniform channels to enhance CO2 selective permeation in mixed matrix membranes

The packing pattern of two-dimensional (2D) sheet-like fillers in membranes is relatively random, leading to the unfavorable permeability from tortuous diffusion pathway. A new strategy that using prestructured materials with uniform channels as fillers was proposed. In this work, Ti₃AlC₂ is etched to prepare multilayered MXene (m-MXene), the channels aggregate as a whole unit, ensure the impossibility of ineffective packing compared with traditional individual sheets, largely facilitating the selective permeation. Then, the m-MXene/Poly (amide-6-b-ethylene oxide) (Pebax) MMMs are synthesized. SEM images demonstrate the accordion shaped structure of filler, which is the multi-channels laminates. Furthermore, the results of gas permeation test exhibit enhanced performance of m-MXene/Pebax MMMs. MMM with 0.5 wt.% m-MXene behaved best, CO₂ permeability of 86.22 Barrer as well as CO₂/N₂ selectivity of 104.85, transcending the Robeson upper bound (2008). Having distinct enhancement for CO₂ separation, the m-MXene/Pebax MMMs in this work offer prospective practical applications.     

Synthesis and characterization of poly(hexamethylene terephthalate/hexamethylene oxamide) alternating copolyamide (alt-PA6T/62)

As a representative polyoxamide, poly(hexamethylene oxamide) (PA62) has good comprehensive performance. However, the high T_m (330°C) creates an obstacle for processing. To improve the processability of PA62, poly(hexamethylene terephthalate/hexamethylene oxamide) alternating copolyamide (alt-PA6T/62) was synthesized by hexamethylene diamine-terminated 6T6-diamine and dibutyl oxalate via solution/solid state polycondensation. Random copolyamide (ran-PA6T/62) was also synthesized for comparison. The structure and properties of the copolymer were analyzed by Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR) spectroscopy, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), Wide-angle X-ray diffraction (WAXD) and the saturated water absorption test. The NMR results confirm the alternating structure of alt-PA6T/62. The DSC and TGA results demonstrate that the novel alternating copolyamide alt-PA6T/62 (T_m = 321°C, T₅ = 420°C) exhibited better thermal properties than those of ran-PA6T/62 (T_m = 294°C, T₅ = 412°C). The saturated water absorption of alt-PA6T/62 was found to be 3.2 wt%. These results revealed that the novel alt-PA6T/62 had an alternating sequence distribution, showed a high melting point as well as good processability and thermal stability, and possessed low saturated water absorption and excellent dimensional stability.