CAJ | 학술논문

基于离子与分子共存理论,建立了计算二元和三元强电解质水溶液中结构单元或离子对的质量作用浓度的通用热力学模型;同时,采用4种二元水溶液和2种三元水溶液验证该通用热力学模型.通过转换标准态和浓度单位,用所建立的通用热力学模型计算出的298.15 K时4种二元水溶液和2种三元水溶液中结构单元或离子对的质量作用浓度和文献中报道的活度值吻合得很好.因此,可采用本研究提出的通用热力学模型计算出的二元和三元水溶液结构单元或离子对的质量作用浓度预报二元和三元强电解质水溶液中组元的反应能力;同样,也可证实本研究提出的通用热力学模型的假设条件是正确和合理的,即强电解质水溶液是由阳离子和阴离子、H2O分子和其他水合盐复杂分子组成的.基于该通用热力学模型计算出的二元和三元强电解质水溶液结构单元或离子对的质量作用浓度严格服从质量作用定律.
기우리자여분자공존이론,건립료계산이원화삼원강전해질수용액중결구단원혹리자대적질량작용농도적통용열역학모형;동시,채용4충이원수용액화2충삼원수용액험증해통용열역학모형.통과전환표준태화농도단위,용소건립적통용열역학모형계산출적298.15 K시4충이원수용액화2충삼원수용액중결구단원혹리자대적질량작용농도화문헌중보도적활도치문합득흔호.인차,가채용본연구제출적통용열역학모형계산출적이원화삼원수용액결구단원혹리자대적질량작용농도예보이원화삼원강전해질수용액중조원적반응능력;동양,야가증실본연구제출적통용열역학모형적가설조건시정학화합리적,즉강전해질수용액시유양리자화음리자、H2O분자화기타수합염복잡분자조성적.기우해통용열역학모형계산출적이원화삼원강전해질수용액결구단원혹리자대적질량작용농도엄격복종질량작용정률.
A universal thermodynamic model of calculating mass action concentrations for structural units or ion couples in ternary and binary strong electrolyte aqueous solution was developed based on the ion and molecule coexistence theory and verified in four kinds of binary aqueous solutions and two kinds of ternary aqueous solutions. The calculated mass action concentrations of structural units or ion couples in four binary aqueous solutions and two ternary solutions at 298.15 K have good agreement with the reported activity data from literatures after shifting the standard state and concentration unit. Therefore,the calculated mass action concentrations of structural units or ion couples from the developed universal thermodynamic model for ternary and binary aqueous solutions can be applied to predict reaction ability of components in ternary and binary strong electrolyte aqueous solutions. It is also proved that the assumptions applied in the developed thermodynamic model are correct and reasonable,i.e.,strong electrolyte aqueous solution is composed of cations and anions as simple ions,H2O as simple molecule and other hydrous salt compounds as complex molecules. The calculated mass action concentrations of structural units or ion couples in ternary and binary strong electrolyte aqueous solutions strictly follow the mass action law.