用状态方程计算熔融态金属及其合金的密度

发布时间：2018-05-12 04:49

本文选题：熔融金属 + 合金　；参考：《华东理工大学学报(自然科学版)》2015年06期

【摘要】：针对液体金属的特点,将变阱宽方阱链流体状态方程进行了简化。在将金属视为球状分子的前提下,简化后的状态方程包含3个分子参数:硬球直径、方阱阱深和对比阱宽。方程中硬球直径参数可直接采用金属原子本身的直径替代,方阱阱深和对比阱宽则可通过液态金属密度的实验数据回归得到。建立的两参数状态方程已被应用于包括熔融态碱金属、碱土金属、过渡金属等液态金属及其合金的密度计算中。结果表明,在较大的温度范围内,用简化的状态方程关联16种液态金属的密度,总的平均偏差为0.16%,结果令人满意,该方程还能预测高压下的密度。采用与温度无关的可调参数后,该方程能进一步计算合金在不同温度、压力和组成下的密度。
[Abstract]:According to the characteristics of liquid metal, the equation of state of square well chain with variable well width is simplified. When the metal is regarded as a spherical molecule, the simplified equation of state consists of three molecular parameters: the diameter of the hard sphere, the well depth of the square well and the width of the contrast well. In the equation, the diameter parameters of the hard sphere can be directly replaced by the diameter of the metal atom itself, and the square well depth and the contrast well width can be obtained by regression of the experimental data of the density of liquid metal. The two-parameter equation of state has been used to calculate the density of liquid metals and their alloys, including molten alkali metals, alkaline earth metals, transition metals and so on. The results show that the density of 16 liquid metals is correlated with the simplified equation of state in a large temperature range, and the total average deviation is 0.16. The results are satisfactory. The equation can also predict the density at high pressure. The equation can further calculate the density of the alloy at different temperatures, pressures and compositions by using the adjustable parameters independent of temperature.
【作者单位】：华东理工大学化学工程研究所;华东理工大学化学系化学工程联合国家重点实验室;
【基金】：国家自然科学基金(21276073,21136004) 中央高校基本科研业务费(222201313001)
【分类号】：TG14

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