School of Mechanical and Power Engineering, Nanjing Tech University, Nanjing 211816, China.
Institute of Reliability Centered Manufacturing (IRCM), Nanjing Tech University, Nanjing 211816, China.
Molecules. 2023 Apr 10;28(8):3333. doi: 10.3390/molecules28083333.
In order to investigate the type IV hydrogen storage bottle with better hydrogen storage capacity, the polymer lining of the hydrogen storage bottle was further developed. In this paper, the molecular dynamics method was used to simulate the helium adsorption and diffusion processes within a modified montmorillonite (OMMT)-filled polyamide 6 (PA6) system. The effects of the barrier properties of the composites were investigated at different filler contents (3%, 4%, 5%, 6% and 7%), different temperatures (288 K and 328 K) and different pressures (0.1 MPa, 41.6 MPa, 52 MPa and 60 MPa) for certain contents. It was found that when the filler content was 5%, the permeability coefficient of the material was lower than 2 × 10 cm∙cm/(cm∙s∙Pa) and the barrier performance was the best. The modified filler with 5% OMMT/PA6 at 328 K still had the strongest barrier performance. When the pressure increased, the permeability coefficient of the modified material first decreased and then increased. In addition to this, the effect of the fractional free volume on the barrier properties of the materials was also investigated. This study provides a basis and reference for the selection and preparation of polymer linings for high-barrier hydrogen storage cylinders.
为了研究具有更好储氢能力的 IV 型储氢瓶，进一步开发了储氢瓶的聚合物衬里。本文采用分子动力学方法模拟了不同填充量（3%、4%、5%、6%和 7%）、不同温度（288 K 和 328 K）和不同压力（0.1 MPa、41.6 MPa、52 MPa 和 60 MPa）下，经改性蒙脱土（OMMT）填充聚酰胺 6（PA6）体系内氦气吸附和扩散过程。研究了复合材料的阻隔性能。结果表明，当填充量为 5%时，材料的渗透率低于 2×10 cm·cm/（cm·s·Pa），阻隔性能最佳。在 328 K 时，填充量为 5%的 OMMT/PA6 改性填充剂仍具有最强的阻隔性能。随着压力的增加，改性材料的渗透率先降低后升高。此外，还研究了分数自由体积对材料阻隔性能的影响。本研究为高阻隔储氢瓶聚合物衬里的选择和制备提供了依据和参考。
