【摘要】 溶质在超临界流体中的溶解度计算方法有热力学模型和经验公式2种,其中经验公式法形式简单,精度接近甚至高于热力学模型,应用广泛。以往的经验公式多用超临界流体密度来关联溶解度,文中选择以溶解度参数为变量,用3个与温度无关的可调参数,建立了超临界流体溶解度计算的经验公式。计算的11种固体在超临界CO2、乙烷和乙烯中溶解度与实验数据的平均相对误差在10%左右。与密度相比,溶剂与溶质的溶解度参数差更能直观地反映出超临界流体对物质的溶解能力,且具有明确的理论基础,应该引起足够的重视和推广。更多还原

【Abstract】 Thermodynamic model and empirical formula are often used in the calculation of solute solubility in supercritical fluids.Empirical formula is widely used due to its simple form and low error,and even superior to thermodynamic model.Density-dependent empirical formula is developed into many forms.The solubility parameter-dependent empirical formula was established with three temperature independent parameters.The solubilities of 11 kinds of solid in supercritical CO2,ethane and ethylene were calculated with this method.The average relative deviation is about 10% from experimental data.Compared with density,the difference between solubility parameter of solvent and solute can reflect the solubility directly,thus more attention should be paid to solubility parameter.更多还原