Improved properties of LiBOB-based solid polymer electrolyte

Water’s unique physicochemical properties arise from its dynamic hydrogen-bonding network, yet the precise molecular threshold at which these cooperative behaviors emerge remains a key question. This study employed nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT) calculations to investigate the evolution of hydrogen bonding strength in small water clusters, ranging from dimers to pentamers. The observed exponential increase in NMR chemical shift up to the pentamer reflects growing hydrogen bond cooperativity, identifying the (H₂O)₅ cluster as a critical structural and energetic threshold. At this size, the network achieves sufficient connectivity to support key bulk-like phenomena such as proton transfer and dielectric relaxation. These conclusions were corroborated by complementary FT-IR and electrochemical impedance spectroscopy (EIS) measurements of bulk water. Our results position the water pentamer as the molecular onset of emergent solvent behavior, effectively bridging the divide between discrete clusters and the macroscopic properties of liquid water.

An experimental study was conducted to investigate the influence of ageing on the morphological, thermal and mechanical properties of virgin and two types of recycled (from technological and postconsumer wastes) modified polyolefin blends. Immiscible blends of virgin low-density polyethylene (LDPE) and polypropylene (PP) in weight ratio 1:1 were modified with the ethylene–propylene diene monomer (EPDM) rubber impact modifier. The efficiency of modification was investigated as a function of modifier content in the range from 7 to 15 wt%. The blends were prepared by extrusion using a corotating twin screw extruder Brabender DSE35/17D at melt temperature in the range from 150 to 200°C and a screw speed of 20 rpm. Compression-molded samples were subjected to natural and accelerated ageing and characterized by differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and mechanical testing. The experiments show that the ageing process deteriorates the mechanical properties of the PP/LDPE blends, and this is more clearly expressed in the blends of virgin material. The results show that the presence of the EPDM modifier delays the process of ageing in PP/LDPE blends. The DSC and SEM investigations confirm the structural changes in the examined compositions.

The present study investigated the ¹H Nuclear Magnetic Resonance (NMR) spectra of hydrogen-rich water (HRW) produced using the EVObooster device. The analyzed HRW has pH = 7.1 ± 0.11, oxidation–reduction potential (ORP) of (−450 ± 11) mV, and a dissolved hydrogen concentration of 1.2 ppm. The control sample was tap water filtered by patented technology. A 600 NMR spectrometer was used to measure NMR spectra. Isotropic 1H nuclear magnetic shielding constants of the most stable clusters (H₂O)_n with n from 3 to 28 have been calculated by employing the gauge-including-atomic-orbital (GIAO) method at the MPW1PW91/6-311+G(2d,p) density function level of theory (DFT). The HRW chemical shift is downfield (higher chemical shifts) due to increased hydrogen bonding. More extensive formations were formed in HRW than in control filtered tap water. The exchange of protons between water molecules is rapid in HRW, and the ¹H NMR spectra are in fast exchange mode. Therefore, we averaged the calculated chemical shifts of the investigated water clusters. As the size of the clusters increases, the number of hydrogen bonds increases, which leads to an increase in the chemical shift. The dependence is an exponential saturation that occurs at about N = 10. The modeled clusters in HRW are structurally stabilized, suggesting well-ordered hydrogen bonds. In the article, different processes are described for the transport of water molecules and clusters. These processes are with aquaporins, fusion pores, gap-junction channels, and WAT FOUR model. The exponential trend of saturation shows the dynamics of water molecules in clusters. In our research, the chemical shift of 4.257 ppm indicates stable water clusters of 4–5 water molecules. The pentagonal rings in dodecahedron cage H₃O⁺(H₂O)₂₀ allow for an optimal arrangement of hydrogen bonds that minimizes the potential energy.

This study explores the structural and chemical interactions between glacial water, ice I_h, and hydration clusters of divalent cations (Ca²⁺ and Mg²⁺). Ice I_h, with its hexagonal lattice and tetrahedral bonding network, is incompatible with the hydration shells of Ca²⁺ and Mg²⁺, which adopt octahedral geometries in aqueous solutions. During freezing, these hydration clusters become disordered, causing distortions in the ice structure. Slow freezing reduces these distortions, while rapid freezing traps ions in amorphous regions, preventing proper alignment of hydration clusters. Through advanced techniques such as chemical and isotopic analysis, computational modeling, and electrical impedance spectroscopy, this study examines ion exclusion mechanisms and water-clustering behaviors. The results show that both ions are largely excluded from the solid phase during freezing, with Mg²⁺ exhibiting stronger exclusion due to its smaller ionic radius and greater hydration energy. This study also highlights the role of sediments in modulating ion patterns in glacial ice. This work deepens our understanding of ion–ice interactions, offering insights for cryochemistry, hydrology, and environmental science. The integration of experimental and computational methods provides new perspectives on divalent cations’ role in modifying ice’s crystalline structure and explains isotopic variability in glacial waters.

Sodium-ion conducting PEO/PVP blend based solid polymer electrolyte films complexed with NaIO₄ salt and nano-sized TiO₂ fillers are fabricated by employing a solution casting technique for Na-ion battery applications. Measurements of X-ray diffraction (XRD) and thermogravimetric analysis (TGA) are carried out to investigate the crystallinity and thermal stability of the solid polymer electrolytes. Scanning electron microscopy (SEM) and Transmission electron microscopy (TEM) studies are performed to understand the modifications in surface morphological features and to evaluate the size and distribution of dispersed nano-sized TiO₂ fillers. The room temperature ionic conductivities of polymer electrolyte films are investigated by impedance analysis in the frequency range 1 MHz - 1 Hz. The nano-sized TiO₂ (3 wt%) filled composite electrolyte of 'PEO/PVP/NaIO₄ (10 wt%)' demonstrates a maximum room temperature conductivity of 9.82 X 10^-6 S/cm. The influence of TiO₂ filler on conductivity and dielectric properties are presented in this report.