Grand canonical Monte Carlo simulation for nitrogen adsorption in graphitic slit micropores: effect of interlayer distance
Grand canonical Monte Carlo simulation for nitrogen adsorption in graphitic slit micropores: effect of interlayer distance
复制标题
DOI：
10.1016/0008-6223(96)00049-8
复制
发表时间：
1996
期刊：
影响因子：
10.9
通讯作者：
Takaomi Suzuki;K. Kaneko;N. Setoyama;M. Maddox;K. Gubbins
中科院分区：
文献类型：
--
作者：
Takaomi Suzuki;K. Kaneko;N. Setoyama;M. Maddox;K. Gubbins
采用宏正则蒙特卡罗(GCMC)模拟方法，模拟了77K下裂隙状石墨微孔对氮气的吸附等温线，并与沥青基活性碳纤维对氮气的吸附等温线进行了比较。孔洞被模拟为平行光滑石墨表面之间的狭缝空间。模拟中采用了可由实验确定的有效孔宽的概念。考察了石墨层间距(D002)对模拟的N2吸附等温线的影响。观察到的活性碳纤维(ACF)的d002很好地模拟了实验结果。
Adsorption isotherms of N2by slit-shaped graphitic micropores at 77 K were simulated using grand canonical Monte Carlo (GCMC) simulation and compared the simulated isotherms with experimental adsorption isotherms of N2on pitch-based activated carbon fibers. The pore was modeled as the slit space between parallel smooth graphite surfaces. The concept of the effective pore width which can be determined experimentally was used for the simulation. The effect of the layer distance (d002) of the graphitic structure on the simulated N2adsorption isotherm was examined. The observed d002of activated carbon fiber (ACF) well simulated the experimental result.