The rigid adsorbent lattice fluid model for pure and mixed gas adsorption
The rigid adsorbent lattice fluid model for pure and mixed gas adsorption
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DOI：
10.1002/aic.16504
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发表时间：
2019-04-01
期刊：
影响因子：
3.7
通讯作者：
Brandani, Stefano
中科院分区：
文献类型：
--
作者：
Brandani, Stefano
宏观模型从纯组分等温线准确预测多组分体系的能力仍然是吸附工程中的一个主要挑战。从改进的格子流体模型出发，导出了一个新的适用于不同尺寸分子在纳米多孔材料中多组分吸附的基本热力学模型。逸度系数的表达式推导和由此产生的平衡关系被证明是一致的I型吸附等温线。得到了饱和容量、亨利定律常数和吸附能的表达式。将该模型应用于硅质岩，并由晶体性质、正构烷烃的吸附能和六种气体的亨利定律常数得到吸附剂的参数。高达20巴的气体吸附模型预测示出的经验吸附等温线方程相媲美。扩展到二进制和四进制系统显示出良好的先验预测能力相比，实验数据。(c)2018美国化学工程师学会AIChE J，65：1304-1314，2019
The ability of macroscopic models to predict correctly multicomponent systems from pure component isotherms alone remains a major challenge in adsorption engineering. A new fundamental thermodynamic model for multicomponent adsorption of molecules of different size in nanoporous materials is derived from a modified lattice fluid model. Expressions for the fugacity coefficients are derived and the resulting equilibrium relationships are shown to be consistent with a type I adsorption isotherm. Expressions are obtained for the saturation capacity, the Henry law constant and the adsorption energy. The model is applied to silicalite and the parameters for the adsorbent are obtained from crystal properties, the adsorption energy of n-alkanes and Henry law constants for six gases. Model predictions for gas adsorption up to 20 bar are shown to be comparable to empirical adsorption isotherm equations. Extension to binary and quaternary systems shows good a priori predictive capability when compared to experimental data. (c) 2018 American Institute of Chemical Engineers AIChE J, 65: 1304-1314, 2019