Considerations About the Building of a Thermodynamic Database for the Chemical Description of Highly Saline Systems

Arnault Lassin, Laurent André, Adeline Lach
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引用次数: 4

Abstract

Amongst the existing models able to describe highly concentrated aqueous systems and solid-liquid or gas-liquid equilibria up to elevated temperatures and pressures, the semi-empirical Pitzer model has been shown to be powerful. Calculation codes are now available for applying this model to such complex natural and industrial systems. The key point remains the building of related thermodynamic databases of high quality. In this work, we present elements of a strategy to build and extend such a database for widespread use.

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建立高盐体系化学描述热力学数据库的思考
在现有的模型中,能够描述高浓度的水系统和固体-液体或气体-液体平衡,直至升高的温度和压力,半经验的Pitzer模型已被证明是强大的。现在可以使用计算代码将该模型应用于这种复杂的自然和工业系统。关键是建立高质量的相关热力学数据库。在这项工作中,我们提出了建立和扩展这种数据库以供广泛使用的策略的要素。
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