在含有重金属盐的水溶液中以298.15K的温度对离子活性行为的研究
Jun Hu1,2, Li Sun1,2,3, Jierong Liang4
1College of Food Science and Technology, Shanghai Ocean University, Shanghai 201306, China.
The Journal of chemical physics
|September 22, 2025
概括
这项研究使用一种新的状态方程来模拟水中的重金属盐活性. 该模型准确地预测了离子活性,特别是当考虑和盐的离子协会时.
科学领域:
- 环境化学环境化学
- 物理化学 物理化学
- 解决方案化学 解决方案化学
背景情况:
- 模拟离子活动对于理解各种系统中离子特异效应至关重要.
- 沉金属盐在水溶液中的微观相互作用在较高度下变得复杂,这使得准确的建模具有挑战性.
研究的目的:
- 应用立方加联状态方程的电解质版本来计算重金属盐的平均离子活性系数.
- 评估模型对水活动,透系数和平均离子活动系数的预测准确度.
主要方法:
- 编制了对,,和盐的实验数据.
- 回归的离子-水二元相互作用参数.
- 应用了立方加关联状态方程,在必要时结合离子关联.
主要成果:
- 该模型成功预测了和盐的活性系数高达5.0-5.5mol/kg.
- 纳入离子协会显著减少了 (<2.0%) 和 (<5.5%) 盐的偏差.
- 该模型提供了对影响活动系数的微层因素的见解.
结论:
- 电解质立方体加联状态方程对于模拟重金属盐活动是有效的.
- 考虑离子协会对于在离子配对系统中准确预测至关重要.
- 该研究提出了改善复杂水溶液模型准确性的建议.
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