首页> 外文期刊>Journal of Computer Chemistry, Japan -International Edition >Determining the Three-phase Equilibrium Diagrams for Water, Oxygen, Propane and Lithium Using van der Waals Equations of State
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Determining the Three-phase Equilibrium Diagrams for Water, Oxygen, Propane and Lithium Using van der Waals Equations of State

机译:使用范德华状态方程确定水,氧,丙烷和锂的三相平衡图

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In the present work, phase diagrams in (pressure, temperature) space were calculated for water, oxygen, propaneand lithium, employing van der Waals (vdW) equations of state, similar to an approach previously employed forargon. These calculations allowed the triple point temperatures to be obtained. The experimentally-determinedtriple point pressure values (p3) normalized by the critical point pressure (pc) (that is, p3/pc) are known toexhibit a significant correlation with the normalized triple point temperature (T3/Tc), and the present resultsreproduce this correlation qualitatively. This work also demonstrated that the low-density solid, high-densitysolid, liquid and gas-phases of water produce a phase diagram similar to that of the ice-water system.
机译:在本工作中,使用范德华(vdW)状态方程,类似于先前用于氩气的方法,计算了(压力,温度)空间中的水,氧气,丙烷和锂的相图。这些计算允许获得三点温度。已知通过临界点压力(pc)归一化的实验确定的三点压力值(p3)(即p3 / pc)与归一化的三点温度(T3 / Tc)表现出显着的相关性,目前的结果重现了这一点。定性相关。这项工作还表明,水的低密度固体,高密度固体,液相和气相产生的相图类似于冰水系统的相图。

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