A modified model for estimating excess adsorption of methane in moist nanoporous silica

A modified model for estimating excess adsorption of methane in moist nanoporous silica
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用于估计潮湿纳米多孔二氧化硅中甲烷过量吸附的改进模型

DOI:
10.1016/j.chemphys.2020.110740
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发表时间:
2020-05
期刊:
影响因子:
2.3
通讯作者:
Yang Mingli
Yang Mingli
中科院分区:
化学3区
文献类型:
--
作者:
Wang Dongbo;Wang Lin;Zhang Li;Cai Changhong;Li Nong;Yang Mingli

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过量吸附量通常用来衡量多孔材料的吸附能力。甲烷在具有纳米孔的湿二氧化硅中吸附的通常计算模型中存在非物理的、偏离实验的负过量吸附。在大孔隙模型中通常被忽略的水占体积是造成这种偏差的原因。提出了一种计算甲烷在湿孔和纳米孔中过量吸附量的修正模型,该模型考虑了水占体积的影响,在高含水量的小孔中,水占体积的影响尤为显著。修正后的模型产生的正过量吸附与现有的实验结果吻合得更好。提出的修正方法将有助于甲烷储量和产量的预测。
Excess adsorption is usually used to measure the adsorption capacity of porous materials. Negative excess adsorption, which is unphysical and deviates from experiments, is noted in the usual computational model for methane adsorption in moist silica with nano-sized pores. Water-occupied volume, which is usually neglected in macro-porous models, is responsible for such deviations. A modified model for computing excess adsorption of methane in moist and nano-porous is proposed by taking into account the effect of water-occupied volume, which becomes significant in a small pore with a high water content. The modified model produces positive excess adsorption that matches better with available experiments. The proposed modification would be helpful for the prediction of methane reserves and productions.
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