SAFT-VR近似下分子气体在多孔材料上的吸附
Adsorption of molecular gases on porous materials in the SAFT-VR approximation
摘要：
本文用简单的分子热力学方法研究链状分子气体在固体表面的吸附。我们使用基于可变范围统计关联流体理论（SAFT-VR）势的模型[A. Gil-Villegas，A. Galindo，P. J. Whitehead，S. J. Mills，G.杰克逊，A. N. Burgess，J.Chem.Phys.106（1997）4168]，我们通过包括准二维近似来扩展以描述这种类型的真实气体的吸附性质[A. Martinez，M.卡斯特罗角McCabe，A. Gil-Villegas，J.Chem.Phys.126（2007）074707]。该模型适用于乙烷，乙烯，丙烷，和二氧化碳吸附在活性炭和硅胶，这是多孔介质的重要工业利益。我们表明，通过本SAFT-VR模型获得的吸附等温线与文献中提供的实验结果相当一致
英文摘要：
A simple molecular thermodynamic approach is applied to the study of the adsorption of gases of chain molecules on solid surfaces. We use a model based on the Statistical Associating Fluid Theory for Variable Range (SAFT-VR) potentials [A. Gil-Villegas, A. Galindo, P. J. Whitehead, S. J. Mills, G. Jackson, A. N. Burgess, J. Chem. Phys. 106 (1997) 4168] that we extend by including a quasi-two-dimensional approximation to describe the adsorption properties of this type of real gases [A. Martinez, M. Castro, C. McCabe, A. Gil-Villegas, J. Chem. Phys. 126 (2007) 074707]. The model is applied to ethane, ethylene, propane, and carbon dioxide adsorbed on activated carbon and silica gel, which are porous media of significant industrial interest. We show that the adsorption isotherms obtained by means of the present SAFT-VR modeling are in fair agreement with the experimental results provided in the literature
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