Fire retardancy of bis[2-(methacryloyloxy)ethyl] phosphate modified poly(methyl methacrylate) nanocomposites containing layered double hydroxide and montmorillonite

Copolymer nanocomposites were prepared by suspension copolymerization of bis[2-(methacryloyloxy)ethyl] phosphate and methyl methacrylate, together with bis(2-ethylhexyl) phosphate layered double hydroxide and a montmorillonite, Cloisite 93A. X-ray diffraction and transmission electron microscopy were used to characterize the morphology of nanocomposites and the dispersion of additives in the polymer. The thermal stability of the nanocomposites has been assessed by thermogravimetric analysis and cone calorimetry has been used to study the fire properties. Bis[2-(methacryloyloxy)ethyl] phosphate not only copolymerized with MMA, but also aids in the dispersion of additives in PMMA. The copolymer nanocomposites have better dispersion and higher degradation temperature and more char mass than the corresponding PMMA nanocomposites. The largest peak reduction in the heat release rate of the copolymer nanocomposites are 52 and 65% for LDH and MMT additives, respectively

Variation of anions in layered double hydroxides: Effects on dispersion and fire properties

Layered double hydroxides (LDHs) are interesting materials for nanocomposite formation because one can vary the identity of the metals, the anions and the stoichiometry to see the effect of these on the ability of the nano-material to disperse in a polymer and to see what effect dispersion has on the properties of the polymer. In this study, the anions 2-ethylhexyl sulfate (SEHS), bis(2-ethylhexyl) phosphate (HDEHP) and dodecyl benzenesulfonate (SDBS) have been utilized as the charge balancing anions to synthesize organo-LDHs. Nanocomposites of poly(methyl methacrylate) (PMMA) and polystyrene (PS) with organo-LDHs were prepared both by melt blending and bulk polymerization. X-ray diffraction and transmission electron microscopy were used to characterize the morphology of the nanocomposites while the thermal stability and fire properties of nanocomposites were studied by thermogravimetric analysis and cone calorimetry; the mechanical properties are also investigated. In general, it is easier to disperse these organo-LDHs in PMMA than in PS, but the sulfate cannot be dispersed at the nanometer level in either material. The addition of these organo-LDHs does not affect the mechanical properties. The best fire properties are obtained with the sulfonate LDH, SDBS; the reduction in the peak heat release rate is almost 50% for both polymers

Editorial: Hexagonal close-packed metals and alloys: Processing, microstructure and properties

In comparison with face-centered cubic (FCC) and body-centered cubic (BCC) metals and alloys, hexagonal close-packed (HCP) metals and alloys show distinct characteristics, such as atomic site occupation, anisotropic microstructure, and fewer slip systems, owing to their HCP lattice structure. Therefore, HCP metals and alloys have distinguished processing, microstructure, and properties. Several types of HCP metals and alloys, involving titanium, zirconium, magnesium, and so on, are extensively used in a variety of industrial and military sectors. Up to date, an increased requirement is still needed to improve the understanding of the relationships among processing, microstructures, and the resultant properties of HCP metals and alloys. In the meantime, surface modification may be conducted on the HCP metals and alloys to obtain better surface properties. However, many challenges are still open for the surface modification of HCP metals and alloys. In the contents of this topic, many endeavors are made to highlight the recent advances related to the processing methods (including surface modification), microstructures, and properties of HCP metals and alloys

GPT-4-powered analysis and prediction of selective catalytic reduction experiments through an effective chain-of-thought prompting strategy

This study explores the use of Large Language Models (LLMs) in interpreting and predicting experimental outcomes based on given experimental variables, leveraging the human-like reasoning and inference capabilities of LLMs, using selective catalytic reduction of NOx with NH3 as a case study. We implement the Chain of Thought (CoT) concept to formulate logical steps for uncovering connections within the data, introducing an "Ordered-and-Structured" CoT (OSCoT) prompting strategy. We compare the OSCoT strategy with the more conventional "One-Pot" CoT (OPCoT) approach and with human experts. We demonstrate that GPT-4, equipped with this new OSCoT prompting strategy, outperforms the other two settings and accurately predicts experimental outcomes and provides intuitive reasoning for its predictions

First-principles computational investigation of nitrogen-doped carbon nanotubes as anode materials for lithium-ion and potassium-ion batteries.

Significant research efforts, mostly experimental, have been devoted to finding high-performance anode materials for lithium-ion and potassium-ion batteries; both graphitic carbon-based and carbon nanotube-based materials have been generating huge interest. Here, first-principles calculations are performed to investigate the possible effects of doping defects and the varying tube diameter of carbon nanotubes (CNTs) on their potential for battery applications. Both adsorption and migration of Li and K are studied for a range of pristine and nitrogen-doped CNTs, which are further compared with 2D graphene-based counterparts. We use detailed electronic structure analyses to reveal that different doping defects are advantageous for carbon nanotube-based and graphene-based models, as well as that curved CNT walls help facilitate the penetration of potassium through the doping defect while showing a negative effect on that of lithium

Homogenization and growth behavior of second-phase particles in a deformed Zr-Sn-Nb-Fe-Cu-Si-O alloy

Homogeneous distribution of fine second-phase particles (SPPs) fabricated by cycles of deformation and annealing in zirconium alloys is a critical consideration for the corrosion resistance of fuel claddings. Different deformation degrees of zirconium alloys would result in distinctive microstructures, leading to a distinct growth of SPPs during subsequent annealing. Unfortunately, the homogenization and growth behavior of SPPs in deformed zirconium alloys have not been well studied. In this work, a β-quenched Zr–Sn–Nb–Fe–Cu–Si–O alloy was rolled and annealed at 580◦C or 680◦C. The morphologies, distributions, and sizes of SPPs resulting from the different processing procedures were investigated. A linear distribution of SPPs is found in the β-quenched sample. Afterward, SPPs grow and are randomly distributed during heat treatment as the deformation degree or annealing time (or temperature) increases. The homogenization and growth of SPPs are attributed to the Ostwald ripening mechanism that is governed by lattice diffusion and short-circuit diffusion. The sample with a higher deformation degree is speculated to have a larger number of defects that provide more shortcuts for the mass transfer of SPPs, thereby facilitating a homogeneous distribution of fine SPPs during annealing

Homogenization and growth behavior of second-phase particles in a deformed Zr-Sn-Nb-Fe-Cu-Si-O alloy

Homogeneous distribution of fine second-phase particles (SPPs) fabricated by cycles of deformation and annealing in zirconium alloys is a critical consideration for the corrosion resistance of fuel claddings. Different deformation degrees of zirconium alloys would result in distinctive microstructures, leading to a distinct growth of SPPs during subsequent annealing. Unfortunately, the homogenization and growth behavior of SPPs in deformed zirconium alloys have not been well studied. In this work, a β-quenched Zr–Sn–Nb–Fe–Cu–Si–O alloy was rolled and annealed at 580◦C or 680◦C. The morphologies, distributions, and sizes of SPPs resulting from the different processing procedures were investigated. A linear distribution of SPPs is found in the β-quenched sample. Afterward, SPPs grow and are randomly distributed during heat treatment as the deformation degree or annealing time (or temperature) increases. The homogenization and growth of SPPs are attributed to the Ostwald ripening mechanism that is governed by lattice diffusion and short-circuit diffusion. The sample with a higher deformation degree is speculated to have a larger number of defects that provide more shortcuts for the mass transfer of SPPs, thereby facilitating a homogeneous distribution of fine SPPs during annealing

Exploring cooperative porosity in organic cage crystals using in situ diffraction and molecular simulations

A porous organic cage crystal, α-CC2, shows unexpected adsorption of sulphur hexafluoride (SF6) in its cage cavities, which are formally occluded even to the smallest diatomic gas, H2, according to a pore analysis of the static crystal structure. In situ powder X-ray diffraction (PXRD) experiments provide unequivocal evidence for the presence of (SF6) inside the ‘occluded’ cage voids, pointing to a mechanism of dynamic flexibility of the system. By combining PXRD results with molecular dynamics simulations, we build a molecular level picture of the cooperative porosity in α-CC2 that facilitates the passage of (SF6) into the cage voids

Layered microporous polymers by solvent knitting method

Two-dimensional (2D) nanomaterials, especially 2D organic nanomaterials with unprecedentedly diverse and controlled structure, have attracted decent scientific interest. Among the preparation strategies, the top-down approach is one of the considered low-cost and scalable strategies to obtain 2D organic nanomaterials. However, some factors of their layered counterparts limited the development and potential applications of 2D organic nanomaterials, such as type, stability, and strict synthetic conditions of layered counterparts. We report a class of layered solvent knitting hyper-cross-linked microporous polymers (SHCPs) prepared by improving Friedel-Crafts reaction and using dichloroalkane as an economical solvent, stable electrophilic reagent, and external cross-linker at low temperature, which could be used as layered counterparts to obtain previously unknown 2D SHCP nanosheets by method of ultrasonic-assisted solvent exfoliation. This efficient and low-cost strategy can produce previously unreported microporous organic polymers with layered structure and high surface area and gas storage capacity. The pore structure and surface area of these polymers can be controlled by tuning the chain length of the solvent, the molar ratio of AlCl(3), and the size of monomers. Furthermore, we successfully obtain an unprecedentedly high–surface area HCP material (3002 m(2) g(−1)), which shows decent gas storage capacity (4.82 mmol g(−1) at 273 K and 1.00 bar for CO(2); 12.40 mmol g(−1) at 77.3 K and 1.13 bar for H(2)). This finding provides an opportunity for breaking the constraint of former knitting methods and opening up avenues for the design and synthesis of previously unknown layered HCP materials