金属有机架构物Cu-BTC低温吸附储氢数值模拟研究

Numerical simulation of hydrogen storage by adsorption on metal-organic framework Cu-BTC at low temperature

物理吸附储氢具有安全性能高、储氢密度大及充放氢速率快的优势,是一种极具应用潜力的储氢方式,其中金属有机架构物(MOFs)材料凭借其高度有序的孔隙结构和可调控特性已成为理想的吸氢材料。为探究吸附储氢过程热效应对储氢性能的影响,首先建立了吸附储氢数值模型并进行验证,随后对比分析了Cu-BTC与活性炭AX-21的储氢特性,并探究不同温度下Cu-BTC的储氢能力。计算结果表明:相较于AX-21,采用Cu-BTC作为吸附剂材料,常温下储氢量提升了12.8%;将储氢温度降至77 K时,Cu-BTC储罐的最高压力降至0.97 MPa,储氢质量相较于常温300 K提升了174%。以上结论可为Cu-BTC材料储氢研究提供参考。

Hydrogen storage by physical adsorption offers significant advantages,including high safety,high hydrogen storage density,and fast hydrogen charging and discharging rates,making it a highly promising method for hydrogen storage.Among the various materials,metal-organic frameworks(MOFs)have emerged as ideal hydrogen storage materials due to their highly ordered porous structures and tunable characteristics.To investigate the influence of thermal effects during the hydrogen adsorption process on storage performance,a numerical model of hydrogen storage by adsorption is established and validated.Subsequently,the hydrogen storage properties of Cu-BTC and activated carbon AX-21 tanks are analyzed and compared.Furthermore,the hydrogen storage capacity of Cu-BTC tank at different temperatures is explored.The results indicate that,compared with AX-21,the hydrogen storage capacity at room temperature increases by 12.8%when using Cu-BTC as adsorbent.When the storage temperature is reduced to 77 K,the maximum pressure in the Cu-BTC tank decreases to 0.97 MPa,and the hydrogen storage capacity increases by 174%compared with room temperature(300 K).These findings provide valuable insights for further research on the hydrogen storage capabilities of Cu-BTC materials.