吸附
大正则系综
类型(生物学)
热力学
单层
统计物理学
吸附等温线
统计力学
表达式(计算机科学)
材料科学
物理
化学
数学
物理化学
计算机科学
统计
纳米技术
蒙特卡罗方法
生物
程序设计语言
生态学
作者
Mohamed Khalfaoui,Salah Knani,M.A. Hachicha,Abdelmottaleb Ben Lamine
标识
DOI:10.1016/s0021-9797(03)00139-5
摘要
New theoretical expressions to model the five adsorption isotherm types have been established. Using the grand canonical ensemble in statistical physics, we give an analytical expression to each of five physical adsorption isotherm types classified by Brunauer, Emett, and Teller, often called BET isotherms. The establishment of these expressions is based on statistical physics and theoretical considerations. This method allowed estimation of all the mathematical parameters in the models. The physicochemical parameters intervening in the adsorption process that the models present could be deduced directly from the experimental adsorption isotherms by numerical simulation. We determine the adequate model for each type of isotherm, which fixes by direct numerical simulation the monolayer, multilayer, or condensation character. New equations are discussed and results obtained are verified for experimental data from the literature. The new theoretical expressions that we have proposed, based on statistical physics treatment, are rather powerful to better understand and interpret the various five physical adsorption type isotherms at a microscopic level.
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