Performance evaluation of basalt fiber-reinforced geopolymer composites with various contents of nano CaCO3

High carbon footprint of cement production is the major drawback of plain cement concrete resulting in environmental pollution. Geopolymer composites paste can be effectively used as an alternative to Portland cement in the construction industry for a sustainable environment. The demand for high-performance composites and sustainable construction is increasing day by day. Therefore, the present experimental program has endeavored to investigate the mechanical performance of basalt fiber-reinforced fly ash-based geopolymer pastes with various contents of nano CaCO₃. The content of basalt fibers was fixed at 2% by weight for all specimens while the studied contents of nano CaCO₃ were 0%, 1%, 2%, and 3%, respectively. The compressive strength, compressive stress-strain response, flexural strength, bending stress-strain response, elastic modulus, toughness modulus, toughness indices, fracture toughness, impact strength, hardness, and microstructural analysis of all four geopolymer composite pastes with varying contents of nano CaCO₃ using scanning electron microscopy (SEM) were evaluated. The results revealed that the use of 3% nano CaCO₃ in basalt fiber-reinforced geopolymer paste presented the highest values of compressive strength and hardness while the use of 2% nano CaCO₃ showed the highest values of flexural strength, impact strength, and fracture toughness of composite paste. The SEM results indicated that the addition of nano CaCO₃ improved the microstructure and provided a denser geopolymer paste by refining the interfacial zones and accelerating the geopolymerization reaction.     

Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics

Heparanase (Hpse) is an endo-β-D-glucuronidase capable of cleaving heparan sulfate side chains. Its upregulated expression is implicated in tumor growth, metastasis and angiogenesis, thus making it an attractive target in cancer therapeutics. Currently, a few small molecule inhibitors have been reported to inhibit Hpse, with promising oral administration and pharmacokinetic (PK) properties. In the present study, a ligand-based pharmacophore model was generated from a dataset of well-known active small molecule Hpse inhibitors which were observed to display favorable PK properties. The compounds from the InterBioScreen database of natural (69,034) and synthetic (195,469) molecules were first filtered for their drug-likeness and the pharmacophore model was used to screen the drug-like database. The compounds acquired from screening were subjected to molecular docking with Heparanase, where two molecules used in pharmacophore generation were used as reference. From the docking analysis, 33 compounds displayed higher docking scores than the reference and favorable interactions with the catalytic residues. Complex interactions were further evaluated by molecular dynamics simulations to assess their stability over a period of 50 ns. Furthermore, the binding free energies of the 33 compounds revealed 2 natural and 2 synthetic compounds, with better binding affinities than reference molecules, and were, therefore, deemed as hits. The hit compounds presented from this in silico investigation could act as potent Heparanase inhibitors and further serve as lead scaffolds to develop compounds targeting Heparanase upregulation in cancer.     

Thermal desorption and pyrolysis direct analysis in real time mass spectrometry of Nafion membrane

Perfluorosulfonic acid ionomer membranes have been widely used as proton conducting membranes in various electrochemical processes such as polymer electrolyte fuel cells and water electrolysis. While their thermal stability has been studied by thermogravimetry and analysis of low molecular weight products, their decomposition mechanism is little understood. In this study a newly developed methodology of thermal desorption and pyrolysis in combination with direct analysis in real time mass spectrometry is applied for Nafion membrane. An ambient ionization source and a high-resolution time-of-flight mass spectrometer enabled unambiguous assignment of gaseous products. Thermal decomposition is initiated by side chain detachment above 350°C, which leaves carbonyls on the main chain at the locations of the side chains. Perfluoroalkanes are released above 400°C by main chain scission and their further decomposition products dominate above 500 °C. DFT calculation of reaction energies and barrier heights of model compounds support proposed decomposition reactions.     

Relationships of tensile strength with crosslink density for the high-carbon black-filled EPDM compounds with various softeners

Equilibrium swelling and rheological tests were adopted to systematically investigate the effects of softener type and dosage on the crosslink densities. The results turned out that the chemical crosslink density could be distinguished from the physical crosslink density by comparing the results of equilibrium swelling and rheological tests. The liquid butadiene (LB) as a softener leads to the greatest reduction in crosslink density, followed by polyethylene wax (PW) and paraffinic oil (PO). The tensile strength decreases with increasing PO content while shows peak values with increase of LB and PW contents. The dependencies of chemical crosslink density on the aging time under 150°C are quite different for the three softeners, which can be expected from the double crosslinking networks consisting of small softener and large main crosslinking networks. Further investigation has been performed to correlate the tensile strength with chemical crosslink density of ethylene propylene diene monomer elastomer vulcanizates. Three different linear relationships can be obtained for the softeners independent of the aging time. It can now be expected from this study that the role of some new softeners in rubber compounds is not only confined to plasticization but also forms crosslinking networks in the peroxide-cured rubbers.     

High-temperature deformation in bulk polycrystalline hafnium carbide consolidated using spark plasma sintering

In this study, we report the three-point flexural strength and fracture toughness of monolithic hafnium carbide up to 2000 °C. HfC with different grain sizes was consolidated using the spark plasma sintering method. Coarse-grained monoliths showed a weak dependence on the strain rate during high-temperature tests at 1600 °C–2000 °C. In contrast, results for the ceramics with a grain size below 20 μm indicated a positive dependence of the yield strength vs strain rate. This allowed us to identify the activation energy for high-temperature deformation in flexure as 370 kJ/mol. This level of activation energy is in satisfactory agreement with reports about the diffusion of C in hafnium carbide.     

Performance of Al2O3 particle reinforced glass-based seals in planar solid oxide fuel cells

Glass-based materials are usually considered as excellent seals for jointing adjacent components in planar solid oxide fuel cells, but the uncontrollable crystallization in the glass may cause delamination and micro-cracks in such seals. To solve this problem, Al2O3 ceramic particles were added to a BaO–CaO–Al2O3–B2O3–SiO2 glass system to reduce negative effects caused by crystalline phase on the gas tightness and the joint strength in the seals. At an operating temperature of 750 °C, the glass-based seals with 20 wt% Al2O3 addition (GA80) exhibited extremely low leakage rates (~0.002 sccm/cm under an input gas pressure of 13.6 kPa) and higher shear strength (3.31 MPa). The Al2O3 ceramic addition and the crystalline phase BaAl2Si2O8 reinforced the glass matrix. Further thermal cycle analyses indicated that leakage rates for the GA80 seals remained at around 0.0025 sccm/cm after 10 thermal cycles, which was consistent with minor microstructural change and good interface bonding. Single cell testing with of GA80 seals was performed and the results demonstrated stable electrochemical performance through 6 thermal cycles at an open circuit voltage of 1.16–1.18 V, as well as a power density above 546 mW/cm2 at a current density of 925 mA/cm2. These results showed the high thermal cycle stability of the glass/Al2O3 composite seals in intermediate temperature planar solid oxide fuel cells.     

An integrated dimensionality reduction and surrogate optimization approach for plant-wide chemical process operation

With liquefied natural gas becoming increasingly prevalent as a flexible source of energy, the design and optimization of industrial refrigeration cycles becomes even more important. In this article, we propose an integrated surrogate modeling and optimization framework to model and optimize the complex CryoMan Cascade refrigeration cycle. Dimensionality reduction techniques are used to reduce the large number of process decision variables which are subsequently supplied to an array of Gaussian processes, modeling both the process objective as well as feasibility constraints. Through iterative resampling of the rigorous model, this data-driven surrogate is continually refined and subsequently optimized. This approach was not only able to improve on the results of directly optimizing the process flow sheet but also located the set of optimal operating conditions in only 2 h as opposed to the original 3 weeks, facilitating its use in the operational optimization and enhanced process design of large-scale industrial chemical systems.     

Effects of the joining process on the microstructure and properties of liquid-phase-sintered SiC-SiC joints formed with Ti foil

The joining of liquid-phase sintered SiC (LPS-SiC) ceramics was conducted using spark plasma sintering (SPS), through solid state diffusion bonding, with Ti-metal foil as a joining interlayer. Samples were joined at 1400 °C, under applied pressures of either 10 or 30 MPa, and with different atmospheres (argon, Ar, vs. vacuum). It was demonstrated that the shear strength of the joints increased with an increase in the applied joining pressure. The joining atmosphere also affected on both the microstructure and shear strength of the SiC joints. The composition and microstructure of the interlayer were examined to understand the mechanism. As a result, a SiC-SiC joining with a good mechanical performance could be achieved under an Ar environment, which in turn could provide a cost-effective approach and greatly widen the applications of SiC ceramic components with complex shape.     

Environmental effects on the strength and impact damage resistance of alumina based oxide/oxide ceramic matrix composites

In this study the effects of high temperature and moisture on the impact damage resistance and mechanical strength of Nextel 610/alumina silicate ceramic matrix composites were experimentally evaluated. Composite laminates were exposed to either a 1050°C isothermal furnace-based environment for 30 consecutive days at 6 h a day, or 95% relative humidity environment for 13 consecutive days at 67°C. Low velocity impact, tensile and short beam strength tests were performed on both ambient and environmentally conditioned laminates and damage was characterized using a combination of non-destructive and destructive techniques. High temperature and humidity environmental exposure adversely affected the impact resistance of the composite laminates. For all the environments, planar internal damage area was greater than the back side dent area, which in turn was greater than the impactor side dent area. Evidence of environmental embrittlement through a stiffer tensile response was noted for the high temperature exposed laminates while the short beam strength tests showed greater propensity for interlaminar shear failure in the moisture exposed laminates. Destructive evaluations exposed larger, more pronounced delaminations in the environmentally conditioned laminates in comparison to the ambient ones. External damage metrics of the impactor side dent depth and area directly influenced the post-impact tensile strength of the laminates while no such trend between internal damage area and residual strength could be ascertained.