氢在Fe-Ti上吸附过程的研究:等温线的理论模拟和统计物理处理解释

M. Manaa, M. Hachicha, B. Schmaltz, Ben Lamine Abdelmottaleb
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引用次数: 2

摘要

建立了氢在Fe-Ti上在100k、80k和60k三种温度下吸附等温线的三个理论表达式。我们建模的目的是选择与实验曲线高度相关的适当模型。这些新表达式的建立是基于统计物理的形式主义。这种方法可以估计理论模型中的物理化学参数。通过数值模拟,直接从实验吸附等温线推导出影响吸附过程的参数。我们将主要介绍影响吸附过程的三个主要参数,即:氢受体位点的密度Nm,每个位点的分子数n和表征氢与Fe-Ti受体位点结合的半饱和压力P1。然后应用该模型计算了等温转换、等压转换和等压转换的热力学能。
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Investigation of Adsorption Process of Hydrogen on Fe-Ti: Theoretical Simulation and Interpretation of Isotherms with Statistical Physics Treatment
Three theoretical expressions for the adsorption isotherms of hydrogen on Fe-Ti at three temperatures 100 K, 80 K and 60 K have been established. Our objective in this modeling is to select the adequate model that presents a high correlation with the experimental curves. The establishment of these new expressions is based on statistical physics formalism. This method has allowed the estimation of physicochemical parameters in the theoretical model. The parameters intervening in the adsorption process have been deduced directly from experimental adsorption isotherms by numerical simulation. We will mainly introduce three main parameters affecting the adsorption process, namely: the density of hydrogen receptor sites Nm, the number of molecules per site n and the pressure at half saturation P1 which characterizes the binding between the hydrogen and receptor sites on Fe-Ti. Then we apply the model to calculate the internal energies in an isothermal transformation, an isobaric transformation and an isosteric transformation.
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