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A solid solution modeling approach somehow analogous to the EoS approach for fluids: Application to equilibria involving fluid phases and solid solutions
Fluid Phase Equilibria ( IF 2.8 ) Pub Date : 2021-07-15 , DOI: 10.1016/j.fluid.2021.113174
Andrés F. Porras Giraldo 1, 2 , S. Belén Rodriguez-Reartes 1, 2 , Marcelo S. Zabaloy 1, 2
Affiliation  

In the present work, a modeling approach applicable over wide ranges of temperature and pressure to the representation of the thermodynamic properties of pure components in solid state is extended to the case of solid solutions. The resulting Solid Solution (SS) modeling Approach (SSA) makes possible to avoid, for multicomponent systems, the inconsistent assumption of solid precipitation in pure state. The SSA here proposed accounts in a straightforward way for the effects of temperature, pressure and SS composition on the thermodynamic properties of the SS. Modeling results are shown for the binary systems Ar(argon)+CH4(methane) and CH4 + n-C20H42 (n-eicosane) in wide ranges of conditions. The agreement between the calculation results obtained for the particular form of the SSA tested in this work and the experimental phase equilibrium data is good for the systems studied. The results in this work indicate that the proposed SSA is able to properly capture the patterns of the phase behavior of the studied mixtures.



中文翻译:

一种类似于流体的 EoS 方法的固溶体建模方法:应用于涉及流体相和固溶体的平衡

在目前的工作中,一种适用于广泛的温度和压力范围的建模方法用于表示固态纯组分的热力学特性,并扩展到固溶体的情况。由此产生的固体溶液 (SS) 建模方法 (SSA) 可以避免对于多组分系统,纯态固体沉淀的不一致假设。这里的 SSA 以一种直接的方式说明了温度、压力和 SS 成分对 SS 热力学性质的影响。显示了二元系统 Ar(氩)+CH 4 (甲烷) 和 CH 4  +  n -C 20 H 42 的建模结果(正二十烷)在各种条件下。在这项工作中测试的特定形式的 SSA 的计算结果与实验相平衡数据之间的一致性对于所研究的系统是好的。这项工作的结果表明,所提出的 SSA 能够正确捕捉所研究混合物的相行为模式。

更新日期:2021-07-27
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