...的第一原理电子结构计算 - TNMSC 关键字: Mg;Gibbs能;电子结构;晶格稳定性;第一原理[gap=1475]Key words: Mg; Gibbs energy; electronic structure; lattice stability; first principles..
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Gibbs energy function 吉布斯能函数
Gibbs energy of solution 溶解吉布斯能
Gibbs energy of formation 生成吉布斯能
Gibbs energy of reaction 反应吉布斯能
Gibbs free energy 吉布斯自由能 ; 自由焓 ; 吉布自由能
Gibbs energy of formation data 生成的吉布斯能
partial Gibbs energy 部分吉布斯能
Gibbs energy of rea 反应吉布斯能
According to the minimum Gibbs energy principle, a calculation method for equilibrium partial pressure and composition of molecule component has been derived.
根据最小自由能法原理,推导出一维迭代法,计算硫蒸气中各分子态组分的平衡分区与组成。
The equilibrium compositions of Baiyin bath smelting process are calculated by the method of Gibbs energy minimization, and modified by physical suspension estimating equations.
用自由焓最小法计算了白银熔池熔炼反应平衡时各相的组成,引入物理悬浮修正公式。
The results show that prediction of VLE depends not only on whether the experimental temperature is around the boiling points of the solute, but also on the selection of excess Gibbs energy model .
结果表明,除了该公式本身要求实验柱温在溶质沸点附近外,VLE预测结果还取决于过量自由焓模型的选择。
And so that led us to the definitions of other energy quantities, the Helmholtz and Gibbs free energy.
这就要求我们定义,其他的和能量相似的物理量,亥姆赫兹和吉布斯自由能。
The Gibbs free energy. Notice, we could also write, let's rewrite that.
吉布斯自由能,注意,我们还可以这样写,重写一下。
So again with the Gibbs free energy, now I see how to determine, if I change the pressure, if I change the temperature by some modest amount, how much is the Gibbs free energy going to change?
再一次通过吉布斯自由能,我知道当我,适当的改变压强和,温度的时候,吉布斯自由能如何变化?
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