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Calculation of surface tension of metals using density gradient theory and PC-SAFT equation of state

机译:使用密度梯度理论和PC-SAFT状态方程计算金属的表面张力

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摘要

The Cahn-Hilliard theory was combined with PC-SAFT equation of state (EOS), in order to describe both the phase behaviors and the surface tension of different types of metals (Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, Fe, Zn, Cd, In, Sn, Pb, and Bi). The only two inputs of the theory are the Helmholtz free-energy density and the influence parameter. The PC-SAFT equation of state was applied to determine Helmholtz free-energy density and bulk properties. The influence parameter is obtained by fitting to the experimental data of surface tension. The results show a useful possibility to calculate surface tensions which are in satisfactory agreement with experimental data.
机译:Cahn-Hilliard理论与PC-SAFT状态方程(EOS)相结合,以描述不同类型的金属(Li,Na,K,Rb,Cs,Mg,Ca, Sr,Ba,Fe,Zn,Cd,In,Sn,Pb和Bi)。该理论的仅有两个输入是亥姆霍兹自由能密度和影响参数。应用PC-SAFT状态方程确定亥姆霍兹自由能密度和体积特性。通过拟合表面张力的实验数据获得影响参数。结果表明,计算与实验数据令人满意的表面张力的有用可能性。

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