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溶液的表面吸附仍是表面热力学当中的一个具有挑战性的问题.在本文中我们定义了一个新的热力学态函数,表面吸附的平衡条件是这个态函数的微分为零.基于这个条件,我们推导了描述平衡时表面吸附的新方程.在推导过程中没有采用假想分界面.新的表面吸附方程和Gibbs表面吸附方程完全不一样.还通过分子动力学方法模拟了氯化钠溶液,模拟结果和我们的理论预测符合较好.
Surface adsorption of solution is still a challenging problem in surface thermodynamics.In this paper we define a new thermodynamic state function, the equilibrium condition of surface adsorption is that the differential of this state function is zero. Based on this condition, we derive A new equation for surface adsorption at equilibrium is presented. No imaginary interface is used in the derivation process. The new surface adsorption equation is completely different from the Gibbs surface adsorption equation. The molecular dynamics simulations of sodium chloride solution, simulation results and Our theoretical prediction is in good agreement.