357 papers
This study demonstrates that optimizing clay nanoparticle-reinforced epoxy coatings at approximately 3.48 wt.% significantly enhances the corrosion resistance, adhesion, and hardness of mild steel in acidic environments, validating a predictive model that outperforms commercial alternatives.
This paper proposes a thermodynamics-informed graph learning framework to predict CO2 solubility in saline brines by modeling chemical interactions as graphs with physical constraints, demonstrating that while graph-based descriptors improve relative-error performance compared to traditional models, high-salinity extrapolation remains a significant challenge.
The study demonstrates that a 5 wt% WOₓ-doped Pt/TiO₂ catalyst, which exhibits strong metal-support interactions and moderate W⁴⁺ concentration, achieves superior selective conversion of nitrogen oxides to ammonia (97% yield) at temperatures above 150°C compared to undoped Pt/TiO₂.
This study investigates the component-specific kinetics and activation energies of sunflower oil transesterification over amine-modified silica, revealing that different fatty acid methyl esters follow distinct kinetic models (ranging from pseudo-first-order to Eley-Rideal) and exhibit varying activation energies, thereby providing essential mechanistic insights for optimizing sustainable biodiesel reactor design.
Green-synthesized WO₃-ZnO nanocomposites, particularly the 40WZ ratio, demonstrated superior photocatalytic activity by achieving 100% degradation of Methyl Orange within 15 minutes under UV-visible light due to enhanced charge separation and reduced recombination rates.
This study utilizes UHPLC-Q-Exactive Orbitrap MS to comprehensively identify 196 compounds, including 176 reported for the first time in *Dioscorea cirrhosa* peels, and confirms the waste material's significant antioxidant potential through in vitro assays.
This study utilizes molecular dynamics simulations to reveal that surface hydroxylation enhances SDBS adsorption on silica nanopores, while temperature and solution density (specifically below 1.025 g/cm³) significantly influence both the adsorption efficiency and the formation of secondary adsorption layers.
The paper introduces EnFlow, a novel energy-guided generative framework that couples flow-based conformer generation with explicit energy landscape modeling to efficiently produce diverse, physically accurate low-energy molecular structures and identify ground states in just one to two sampling steps.
This study demonstrates that waste ceramic rollers can be effectively recycled via hydrofluoric acid leaching to produce a high-performance corundum-mullite synthetic refractory material that exhibits superior bulk density, lower porosity, and reduced permanent linear change at 1650°C compared to sintered bauxite.
This study demonstrates that chemically extracted bast fibers from the indigenous Ethiopian violet tree (Enjeji) possess favorable chemical, physical, and mechanical properties comparable to established fibers like hemp and flax, highlighting their significant potential as sustainable raw materials for the textile and fashion industries.