Package FLUIDS. Part 4: thermodynamic modelling and purely empirical equations for H2O-NaCl-KCl solutions
Package FLUIDS. Part 4: thermodynamic modelling and purely empirical equations for H2O-NaCl-KCl solutions
复制标题
DOI：
10.1007/s00710-012-0192-z
复制
发表时间：
2012-02
影响因子：
1.8
通讯作者：
R. Bakker
中科院分区：
文献类型：
--
作者：
R. Bakker
在各种地质环境中，流体包裹体中偶尔会出现一种富h2o - nacl - kcl流体。这种流体的性质提供了有关圈闭条件的信息，从而可以了解影响岩石的条件。本研究建立了新的纯经验和热力学模型，以重现H2O-NaCl-KCl流体系统的性质，特别是变压（固体-液体-蒸汽表面，即slv）和恒压（固体-液体表面，即sl）下的液体。lvsurface是根据“最佳拟合”多项式方程建模的，这些方程与温度、压力和成分有关。在恒定压力下，l表面根据热力学原理建模，即平衡时各相组分（NaCl和KCl）化学势相等。该模型在400 MPa和900°C下有效，可应用于流体包裹体研究，从盐晶体的溶解温度获得盐度。这些新模型包含在aqso whs程序中，该程序构成了软件包流体的一部分（Bakker, Chem Geol 194:3-23, 2003），以便能够直接将数学函数应用于流体包裹体研究和一般流体性质调查。
A H2O-NaCl-KCl-rich fluid occurs occasionally in fluid inclusions in a variety of geological environments. The properties of this fluid provide information about the conditions of entrapment, and thereby, conditions that have affected the rock. New purely empirical and thermodynamic models are developed in this study to reproduce the properties of the H2O-NaCl-KCl fluid system, especially theliquidusat variable pressures (the solid–liquid-vapour surface, i.e.SLV), and at constant pressures (the solid–liquid surface, i.e.SL). TheSLVsurface is modelled according to “best-fit” polynomial equations, which relate temperature, pressure and composition. TheSLsurfaces, at constants pressures, are modelled according to thermodynamic principles, i.e. the equality of chemical potentials of components (NaCl and KCl) in each phase at equilibrium. The models are valid up to 400 MPa and 900°C and can be applied to fluid inclusions studies to obtain salinities from dissolution temperatures of salt crystals. The new models are included in the programAqSo WHSthat forms part of the software packageFLUIDS(Bakker, Chem Geol 194:3–23, 2003), to be able to apply directly the mathematical functions in fluid inclusion studies and in general fluid properties investigations.