Suitability of L- and U-Curve Methods for Calculating Reasonable Adsorption Energy Distributions from Nitrogen Adsorption Isotherms
Suitability of L- and U-Curve Methods for Calculating Reasonable Adsorption Energy Distributions from Nitrogen Adsorption Isotherms
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DOI：
10.1260/0263-6174.32.7.521
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发表时间：
2014-07
影响因子：
2.9
通讯作者：
S. Arnrich;P. Bräuer;M. Klauck;G. Kalies
中科院分区：
文献类型：
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作者：
S. Arnrich;P. Bräuer;M. Klauck;G. Kalies
吸附能分布（AED）可以计算从测量的吸附等温线的吸附积分方程的正则化后，通过数值方法。正则化解决了吸附积分方程的“不适定问题”。在本文中，所谓的U-和L-曲线的方法和修正的U-曲线的方法来估计最佳的正则化参数进行了测试与合成的氮吸附等温线。使用简单的气体吸附模型，从具有一个（最小值）至五个（最大值）峰的AED计算等温线。为了验证的U-和L-曲线的方法，最初生成的AED功能与不同数量的峰相比，从合成等温线使用INTEG正则化方法得到的那些。结果表明，L曲线法在寻找最优正则化参数方面比U曲线法有上级的优势。
Adsorption energy distributions (AEDs) can be calculated from measured adsorption isotherms by numerical methods upon regularization of the adsorption integral equation. The regularization solves the ‘ill-posed problem’ of the adsorption integral equation. In this paper, the so-called U- and L-curve methods and the modified U-curve method for estimating the optimal regularization parameter are tested with synthetic nitrogen adsorption isotherms. The isotherms are calculated from AEDs with one (minimum) to five (maximum) peaks using a simple gas adsorption model. To verify the U- and L-curve methods, the originally generated AED functions with different number of peaks are compared with those obtained back from the synthetic isotherms using the INTEG regularization method. The results show that the L-curve method is superior to the U-curve methods for finding the optimal regularization parameter.