“热原子”反应机制中吸附层的振动温度
Vibrational temperature of the adlayer in "hot atom" reaction mechanism
摘要：
热原子反应机制带来的反应速率比与表面热化的ad原子的情况下预期的反应速率高几个数量级。本文讨论了一个可能的热力学特性的吸附剂在反应条件下，并在稳定状态下的问题。反过来，这意味着要解决确定ad原子温度的问题。这是通过一个非平衡统计热力学的方法，通过利用适当的定义的熵。反应速率、吸附原子的振动温度和吸附量之间的相互作用是突出的。结果表明，振动温度在热力学上依赖于反应速率，并对与反应能量有关的物理量，即分子的吸附能和结合能，表现出非线性的标度关系。本文还结合非平衡态热力学响应方程讨论了本模型。
英文摘要：
Hot-atoms reactions mechanisms bring about reaction rates which are several orders of magnitude higher than those expected in the case of ad-atoms which have thermalized with the surface. This paper addresses the issue of a possible thermodynamic characterization of the adlayer under reactive conditions and at the steady state. In turn, this implies to tackle the question of determining the temperature of the ad-atoms. This is done by means of a nonequilibrium statistical thermodynamic approach, by exploiting a suitable definition of the entropy. The interplay between reaction rate, vibrational temperature of the ad-atoms and adsorbed quantities is highlighted. It is shown that the vibrational temperature depends on reaction rate logarithmically and exhibits a non-linear scaling on physical quantities linked to the energetics of the reaction, namely the adsorption energy and the binding energy of the molecule. The present modeling is also discussed in connection with response equations of nonequilibrium thermodynamics.
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