Molecular Dynamics Insights into the Stability of Bulk Hydrogen Nanobubbles in Water and Methanol DOI

Jianping Yuan,

Wang Shi-duo,

Haiqiao Wei

и другие.

Langmuir, Год журнала: 2025, Номер unknown

Опубликована: Май 28, 2025

Bulk hydrogen nanobubbles (NBs) play a key role in generation and utilization. However, their stabilization mechanisms different solvents remain not fully understood. This study employs molecular dynamics simulations to investigate the stability evolution of bulk NBs water methanol, with experimental measurements providing validation. The results show that methanol tend dissolve at lower initial gas densities, indicating compared those water. Under stable conditions, approximately 80% molecules inside water, while only about 40% consistent methanol's higher solubility observed experimentally. Further analysis reveals exhibit thinner gas-liquid interface as well internal pressure density, mainly related its solubility. Utilizing mechanical equilibrium critical radius theory, we identify concentration thresholds for NB be 0.96-1.44 mol/L 2.69-2.88 methanol. Additionally, more vigorous motion, stronger interactions, weaker bond network. provides molecular-level insights into solvents.

Язык: Английский

Flexible Electrocatalyst Engineering Based on 2D Ultrathin Nanosheets and Lamellar Fern‐Like Aerogel for Water Electrolysis DOI Open Access
Zhenfeng Zhu,

Jiaxuan Qiu,

Liansong Xie

и другие.

Advanced Sustainable Systems, Год журнала: 2025, Номер unknown

Опубликована: Март 12, 2025

Abstract Water electrolysis represents the primary method to produce green hydrogen. Nevertheless, during water electrolysis, particularly at high current densities, a large number of gas bubbles generated are difficult detach from electrode, triggering series negative effects such as active site covering, ionic conductance block, and catalyst deactivation, which in turn reduces efficiency. In recent years, flexible electrocatalysts have been developed address this issue well, with superior characteristics including mechanical deformability, optimization, mass transfer efficiency, structural stability. The advanced development electrocatalyst engineering for is urgently needed be systematically reviewed. Here, first, summarized deeply understand their impact on performance. Second, strategies design based 2D nanosheets fern‐like structure comprehensively introduced. Last but not least, outlooks research presented, will provide preliminary theoretical basis new ideas low‐cost, high‐performance, long‐life applied electrolysis.

Язык: Английский

Процитировано

0

Molecular Dynamics Insights into the Stability of Bulk Hydrogen Nanobubbles in Water and Methanol DOI

Jianping Yuan,

Wang Shi-duo,

Haiqiao Wei

и другие.

Langmuir, Год журнала: 2025, Номер unknown

Опубликована: Май 28, 2025

Bulk hydrogen nanobubbles (NBs) play a key role in generation and utilization. However, their stabilization mechanisms different solvents remain not fully understood. This study employs molecular dynamics simulations to investigate the stability evolution of bulk NBs water methanol, with experimental measurements providing validation. The results show that methanol tend dissolve at lower initial gas densities, indicating compared those water. Under stable conditions, approximately 80% molecules inside water, while only about 40% consistent methanol's higher solubility observed experimentally. Further analysis reveals exhibit thinner gas-liquid interface as well internal pressure density, mainly related its solubility. Utilizing mechanical equilibrium critical radius theory, we identify concentration thresholds for NB be 0.96-1.44 mol/L 2.69-2.88 methanol. Additionally, more vigorous motion, stronger interactions, weaker bond network. provides molecular-level insights into solvents.

Язык: Английский

Процитировано

0