two equations for the calculation of surface tension of pure liquids are derived based on statistical thermodyanics by expressing the intermolecular potential as lennard-Jones pair potential.This method is simple,accu...two equations for the calculation of surface tension of pure liquids are derived based on statistical thermodyanics by expressing the intermolecular potential as lennard-Jones pair potential.This method is simple,accurate and easy to use.The calculation results for the 22 pure liquids show that these equations are superior to the empirical forula and other theoretical equations.The average relative deviations for these two equations are within 5% and 1.5% respectively.展开更多
An equation of state for electrolyte aqueous solution is developed by treating the ion-ion electrostatic and ion-solvent molecule interactions with primitive MSA and perturbation theory, respectively. The effect of th...An equation of state for electrolyte aqueous solution is developed by treating the ion-ion electrostatic and ion-solvent molecule interactions with primitive MSA and perturbation theory, respectively. The effect of the dielectric constant on the ionic chemical potential and the calculation accuracy of ionic mean activity coefficients for 2∶1 and 1∶1 type halide aqueous solution are discussed.By taking ionic Pauling diameter as ionic hard sphere diameter for anions and treating the cation hard sphere diameter as ionic strength dependent, the equation can be used to calculate ionic activity coefficients in the moderate concentration range with good accuracy.展开更多
用Yukawa势能函数表达胶体颗粒之间的吸引作用 .用Duh Mier Y Teran状态方程表达液相Helmholtz自由能 .用一阶微扰理论、固体硬球径向分布函数解析式和改进的胞腔模型建立固相状态方程 .结合建立的状态方程和重整化群(RenormalizationGr...用Yukawa势能函数表达胶体颗粒之间的吸引作用 .用Duh Mier Y Teran状态方程表达液相Helmholtz自由能 .用一阶微扰理论、固体硬球径向分布函数解析式和改进的胞腔模型建立固相状态方程 .结合建立的状态方程和重整化群(RenormalizationGroup ,RG)理论 ,研究了胶体模型体系的液 -液相平衡和液 -固相平衡 .研究表明 ,颗粒之间色散作用量程参数的变化对胶体模型体系的相行为有重要影响 .展开更多
文摘two equations for the calculation of surface tension of pure liquids are derived based on statistical thermodyanics by expressing the intermolecular potential as lennard-Jones pair potential.This method is simple,accurate and easy to use.The calculation results for the 22 pure liquids show that these equations are superior to the empirical forula and other theoretical equations.The average relative deviations for these two equations are within 5% and 1.5% respectively.
文摘An equation of state for electrolyte aqueous solution is developed by treating the ion-ion electrostatic and ion-solvent molecule interactions with primitive MSA and perturbation theory, respectively. The effect of the dielectric constant on the ionic chemical potential and the calculation accuracy of ionic mean activity coefficients for 2∶1 and 1∶1 type halide aqueous solution are discussed.By taking ionic Pauling diameter as ionic hard sphere diameter for anions and treating the cation hard sphere diameter as ionic strength dependent, the equation can be used to calculate ionic activity coefficients in the moderate concentration range with good accuracy.
