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Hydrogen adsorption on microporous materials at ambient temperatures and pressures up to 50 MPa

机译:在环境温度和最高50 MPa的压力下,氢吸附在微孔材料上

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High surface area microporous adsorbents are often proposed as potential hydrogen storage materials, although typically at 77 K and less than 5 MPa. In this study, we focus on conditions more suitable for automotive applications by investigating the storage capacities of microporous materials at 298 K and at pressures up to 50 MPa. In an effort to derive trends within and across material classes, we examined a wide range of materials with varying mierostructures including the activated carbons AX-21, KUA-5, and MSC-30; a zeolite templated carbon; a hypercrosslinked polymer; and the Metal Organic Frameworks MOF-177, IRMOF-20, MIL-53, ZIF-8, and Cu3(btc)2- The peak excess adsorption of these materials ranged from 0.8-1.8 wt.%, although many did not reach their maximum capacity even at high pressures. However, the total volumetric storage gains over compressed hydrogen gas were quite low and, in many cases, negative. In addressing ambient temperature adsorption at significantly higher pressures than previously reported, our data confirms and extends the range of validity of several existing DFT calculations. Furthermore, our data suggest that, for both activated carbons and MOFs, factors other than specific surface area govern ambient temperature adsorption capacity. Contrary to some reports, the high fractions of sub-nanometer pores in some of the investigated MOFs did not appear to enhance the excess adsorption even at high pressures. For on-board applications with ambient temperature storage, significant enhancements to the attractive force at the materials' surface are required, beyond merely increasing specific surface area, or for MOFs, tuning of pore sizes.
机译:高表面积的微孔吸附剂通常被建议作为潜在的储氢材料,尽管通常在77 K且小于5 MPa的条件下。在这项研究中,我们通过研究微孔材料在298 K和最高50 MPa的压力下的储存能力,着眼于更适合汽车应用的条件。为了得出不同材料类别内和不同材料之间的趋势,我们检查了多种具有不同微观结构的材料,包括活性炭AX-21,KUA-5和MSC-30。沸石模板碳;超交联的聚合物;以及金属有机骨架MOF-177,IRMOF-20,MIL-53,ZIF-8和Cu3(btc)2-的峰值吸附量为0.8-1.8 wt。%,尽管许多未达到它们的标准。即使在高压下也能达到最大容量。但是,相对于压缩氢气,总的体积存储增益非常低,在许多情况下为负。在解决比以前报道的压力高得多的压力下的环境温度吸附问题时,我们的数据证实并扩展了几种现有DFT计算的有效性范围。此外,我们的数据表明,对于活性炭和MOF,比表面积以外的因素决定着环境温度的吸附能力。与某些报告相反,某些被研究的MOF中亚纳米孔的高比例即使在高压下也似乎并未增强过量吸附。对于具有环境温度存储功能的车载应用,除了显着增加比表面积之外,还需要显着提高材料表面的吸引力,或者对于MOF,需要调整孔径。

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