In this work, the SAFT-VR Mie equation of state is used in conjunction with the Dubinin-Radushkevich-Astakhov (DRA) and Steele potentials, according to the Multicomponent Potential Theory of Adsorption (MPTA), to model the thermodynamic behavior of fluids confined in porous media. The problem specifications are the temperature, volume, and number of moles of each component, yielding a Helmholtz energy-minimization problem. Calculation results show very good agreement with experimental adsorption data for systems of methane, nitrogen, carbon dioxide, ethane, ethylene, and isobutane adsorbed on activated carbon and molecular sieve.

中文翻译：

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利用吸附的多组分势理论和SAFT-VR Mie状态方程对密闭流体进行建模

在这项工作中，根据多组分吸附理论（MPTA），将SAFT-VR Mie状态方程与Dubinin-Radushkevich-Astakhov（DRA）和Steele势结合使用，以模拟受限流体的热力学行为在多孔介质中。问题的规格是温度，体积和每种组分的摩尔数，从而产生亥姆霍兹能量最小化问题。计算结果表明，甲烷，氮气，二氧化碳，乙烷，乙烯和异丁烷在活性炭和分子筛上的吸附实验数据非常吻合。