Simplified local density model for gas adsorption in cylindrical carbon pores
Simplified local density model for gas adsorption in cylindrical carbon pores
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圆柱形碳孔中气体吸附的简化局部密度模型
DOI：
10.1016/j.apsusc.2019.05.350
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发表时间：
2019-10
影响因子：
6.7
通讯作者：
Zhang Wen-Tong
中科院分区：
文献类型：
--
作者：
Wu Xiao-Jun;Ning Zheng-Fu;Cheng Zhi-Lin;Wang Qing;Qi Rong-Rong;Huang Liang;Zhang Wen-Tong
碳材料、煤层气和页岩气储层包含各种碳孔几何形状，如狭缝和圆柱体。简化局域密度(SLD)模型是研究缝隙炭孔内气体吸附的一种有效的、公认的方法，但尚未完全从狭缝炭孔推广到圆柱形炭孔，这限制了它的实际应用。在此基础上，通过引入虚拟吸引势，并用清洁能源气体(如H_2和CH_4)的计算吸附结果进行验证，得到了吸附相中的关键参数(即吸附参数和吸附相余体积参数)，从而建立了SLD-圆柱体模型。同时，对该模型的碳层效应和适用范围进行了充分的讨论。基于SLD圆柱体模型，研究了H2和CH4在2.7 nm和1.35 nm柱孔中的等温线和等温线，温度为2 13~413 K，压力为1~10 MPa。我们发现，碳层数是计算圆柱孔内气体吸附的一个重要因素。此外，SLD-圆柱体模型也适用于压力高于环境压力和孔径大于1 nm的情况。此外，由于体积流体密度(BFD)对过量吸附的显著影响，特别是对于CH4，等压线和过剩等温线的形状分别随着压力和温度的变化而变化很大。这一认识可应用于清洁能源气的储存、煤层气和页岩气的回收。因此，新开发的SLD柱体模型在储气库、非常规气藏开采和孔隙结构表征等方面的应用与原有的SLD狭缝模型一样有用。
Carbon materials, coal-bed methane and shale gas reservoirs contain various carbon pore geometries like slit and cylinder. Simplified local density (SLD) model is a beneficial and widely recognized method for gas adsorption in slit-like carbon pore, and hasn't been completely extended from slit-like carbon pore to cylindrical carbon pore, which restricts its actual application. Herein, a SLD-cylinder model is established by obtaining the key parameters (i.e. attractive parameter and co-volume parameter in adsorbed phase) with the introduction of dummy attractive potential and the validation with clean energy gas (i.e. H2and CH4) computational adsorption results. Meanwhile, for this model, the effect of carbon layers and the sphere of application are fully discussed here. Furthermore, based on SLD-cylinder model, isobars and isotherms of H2and CH4at a temperature ranging from 213 to 413 K and a pressure ranging from 1 to 10 MPa are investigated in 2.7 nm and 1.35 nm cylindrical pores. We find that carbon layer number is an essential factor for gas adsorption calculation in a cylindrical pore. Also, the SLD-cylinder model is applicable for the pressure higher than ambient one and the pore size larger than 1 nm. Moreover, owing to the significant effect of bulk fluid density (BFD) on excess adsorption, for CH4especially, the shapes of isobar and excess isotherm vary mightily with pressure and temperature, respectively. This understanding could be applied to the storage of clean energy gas and the recovering of coal-bed methane (CBM) and shale gas. Therefore, the new developed SLD-cylinder model is as useful as the original SLD-slit model in the applications of gas storage, unconventional gas reservoirs recovering and pore structure characterization.
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影响因子：
2.7
作者：
Xiukun Wang;J. Sheng
通讯作者：
Xiukun Wang;J. Sheng
影响因子：
3.3
作者：
M. Rzepka;P. Lamp;M. A. D. L. Casa-Lillo
通讯作者：
M. Rzepka;P. Lamp;M. A. D. L. Casa-Lillo
影响因子：
6.7
作者：
Yuanqiang Zhu;H. Su;Y. Jing;Jianchun Guo;Junlei Tang
通讯作者：
Yuanqiang Zhu;H. Su;Y. Jing;Jianchun Guo;Junlei Tang
影响因子：
7.2
作者：
Zhi‐Yuan Zhang;Xiao-Hui Liu;Hua Li
通讯作者：
Zhi‐Yuan Zhang;Xiao-Hui Liu;Hua Li
影响因子：
10.9
作者：
Neimark, Alexander V.;Lin, Yangzheng;Thommes, Matthias
通讯作者：
Thommes, Matthias