Estimating the thermodynamic properties of phosphate minerals at high and low temperature from the sum of constituent units
Estimating the thermodynamic properties of phosphate minerals at high and low temperature from the sum of constituent units
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DOI：
10.3989/egeol.39849.060
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发表时间：
2009-12
影响因子：
0.7
通讯作者：
Á. Iglesia
中科院分区：
文献类型：
--
作者：
Á. Iglesia
使用 Hazen 多面体单元模型并采用最小二乘法，计算了矿物磷酸盐在 298 K 和 1 bar 压力下 19 个组成单元对自由能的贡献和 15 个单元对焓的贡献。还计算了这些组成单元在较高温度下对自由能的贡献。根据这些数据，我们可以通过总结不同单元的贡献来估计磷酸盐的热力学性质，比迄今为止发布的方法更准确。
Using the polyhedral units model of Hazen and employing a method of least-squares, the contribution of nineteen constituent units to the free energy and fifteen units to the enthalpy, at 298 K and 1 bar of pressure, have been calculated for mineral phosphates. The contribution of these constituent units to the free energy at higher temperatures has also been calculated. From these data we can estimate the thermodynamic properties of phosphates by summing the contribution of the distinct units, with more accuracy than the methods published up until now.