碳材料上水吸附的非均相Do-Do模型
Heterogeneous Do-Do model of water adsorption on carbons.
作者信息
Furmaniak Sylwester, Gauden Piotr A, Terzyk Artur P, Rychlicki Gerhard, Wesołowski Radosław P, Kowalczyk Piotr
机构信息
Physicochemistry of Carbon Materials Research Group, Department of Chemistry, N. Copernicus University, Gagarin St. 7, 87-100 Toruń, Poland.
出版信息
J Colloid Interface Sci. 2005 Oct 1;290(1):1-13. doi: 10.1016/j.jcis.2005.07.043.
The model of water adsorption on carbons proposed five years ago by Do and Do is analyzed and improved. Following the experimental evidence that for activated carbons surface active groups differ in the value of the energy of interaction with water molecules, we propose to extend the original model to take this fundamental feature into account. For the original DD model, as well as proposed new heterogeneous one (HDDM), we develop also the corresponding isosteric enthalpy of adsorption formulas. The features of the HDDM are studied via simulations. It is shown that the new model predicts the shapes of adsorption isotherm as well as corresponding enthalpy observed for real experimental systems. Finally, the HDDM is successfully applied to description of arbitrarily chosen adsorption and enthalpy of adsorption data. Up to our knowledge, HDDM is the first model describing satisfactorily water adsorption isotherms and corresponding enthalpy data measured on different microporous activated carbons in the whole relative pressure range.
对Do和Do在五年前提出的碳材料水吸附模型进行了分析和改进。基于实验证据，即对于活性炭，表面活性基团与水分子相互作用的能量值存在差异，我们建议扩展原始模型以考虑这一基本特征。对于原始的DD模型以及新提出的非均相模型（HDDM），我们还推导了相应的等量吸附焓公式。通过模拟研究了HDDM的特性。结果表明，新模型能够预测实际实验系统中观察到的吸附等温线形状以及相应的焓。最后，HDDM成功应用于任意选择的吸附和吸附焓数据的描述。据我们所知，HDDM是第一个在整个相对压力范围内令人满意地描述不同微孔活性炭上测量的水吸附等温线和相应焓数据的模型。
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