氢气在炭狭缝微孔内吸附的预测

通过边界的平均场近似,推导二平板狭缝孔格子理论Ono-Kondo吸附等温方程.利用格子气模型特性和微观物理学理论,计算氢分子在石墨平面的最大吸附容量.比较由氢分子在石墨平面二典型聚集状态标定的Ono-Kondo方程,并用预测精度较高的方程计算了与文献相同条件下的吸附等温线.在比较了计算结果、试验结果和GCMC分子模拟结果后,对Ono-Kondo吸附等温方程的特点、理论基础作了分析,指出了方程的适用范围.

The Prediction of the Adsorption of Hydrogen within the Slit-pores of Carbon Micro-pore Adsorbents

The Ono-Kondo isotherm equation for the hydrogen molecules adsorbed within the slit-pores of the carbon micro-pore adsorbents is deduced by the mean-field approximations to the adsorption boundary. Then the maximum adsorption capacities at two typical kinds of stacking of the hydrogen molecules upon the graphite surface are valued by using the characteristics of the lattice gas model and the theory of Microphysics. The values of other parameters for the Ono-Kondo equation at two typical stacking states of hydrogen molecules are obtained by using the ascertained maximum adsorption capacities, the langmuir calibration and the linear regression on the experimental data. The predicted precision of the two equations is evaluated by the mean relative error between the predicted results and the experimental data, and the equation ascertained by the close-packing of hydrogen molecules with the higher accuracy is applied to predict the adsorption isotherm under the same condition described in literatures. The predicted results are compare with the experimental data and those from the GCMC molecular simulation under the same adsorption condition on the same kinds of adsorbents. Finally, the effective range of the ascertained equation is analyzed and the suggestions are given to the application of the equation.