Statistical Mechanics of Multilayer Sorption: Surface Concentration Modeling and XPS Measurement,The Journal of Physical Chemistry Letters

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Statistical Mechanics of Multilayer Sorption: Surface Concentration Modeling and XPS Measurement
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2018-03-07 00:00:00 , DOI: 10.1021/acs.jpclett.8b00332
Anthony R Toribio ₁ , Nønne L Prisle ₂ , Anthony S Wexler _{1,

3}

Affiliation

The concentration of solute molecules at the surface of a liquid is a factor in heterogeneous reactions, surface tension, and Marangoni-effect-driven surface flows. Increasingly, X-ray photoelectron spectroscopy (XPS) has enabled surface concentrations to be measured. In prior work, we employed statistical mechanics to derive expressions for surface tension as a function of solute activity in a binary solution. Here we use a Gibbs relation to derive concomitant expressions for surface concentration. Surface tension data from the literature for five alcohols are used to identify parameters in the surface tension equation. These parameters are then used in the surface concentration equation to predict surface concentrations. Comparison of these predictions to those measured with XPS shows a factor of three difference between measured and predicted surface concentrations. Potential reasons for the discrepancy are discussed, including lack of surface-bulk equilibrium in the measurements.

中文翻译：

多层吸附的统计力学：表面浓度建模和 XPS 测量

液体表面的溶质分子浓度是多相反应、表面张力和马兰戈尼效应驱动的表面流动的一个因素。X 射线光电子能谱 (XPS) 越来越多地能够测量表面浓度。在之前的工作中，我们采用统计力学来推导出作为二元溶液中溶质活性函数的表面张力的表达式。在这里，我们使用 Gibbs 关系来导出表面浓度的伴随表达式。文献中五种醇的表面张力数据用于识别表面张力方程中的参数。然后将这些参数用于表面浓度方程以预测表面浓度。将这些预测与用 XPS 测量的预测进行比较表明，测量和预测的表面浓度之间存在三倍的差异。讨论了差异的潜在原因，包括测量中缺乏表面-体积平衡。

更新日期：2018-03-07

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