| 摘要: |
| 基于质量守恒以及电中性条件,采用化学平衡计算法,计算机模拟研究了高岭石固相平衡的酸性天然地表水中铝的缓冲作用对 p H值,酸中和容量 ANC和缓冲强度 β的影响.讨论了影响酸性地表水 p H值估算的各种因素,如溶解硅酸的浓度,溶解总无机碳的浓度,溶解总氟和总有机碳的浓度及温度等.模型被用于实际水样的分析,所得结果与实验值符合较好.用 MonteCarlo模拟考察了由于平衡常数的选择以及水化学参数测量误差而带来的不确定性. |
| 关键词: 高岭石固相平衡 缓冲作用 酸性天然水 MonteCarlo模拟 计算机模拟 |
| DOI：10.18307/2000.0307 |
| 分类号: |
| 基金项目:国家自然科学基金(49831005;29777013)和南京大学污染控制与资源化国家重点实验室开放基金联合资助项目. |
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| Computer Simulation of the Buffering Effects of Aluminum in Acidic Natural Waters Equilibria with the Mineral Phase Kaolinite |
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LIU Feng, BI Shuping
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State Key Laboratory of Pollution Control & Resource Reuse, Department of Chemistry, Nanjing University, Nanjing 210093, China
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| Abstract: |
| This paper presents a concise computer simulation which utilizes thermodynamic relationships coupled with mass balance and electroneutrality constraints to investigate the buffering function of aluminum in acidic natural waters euqilibria with mineral kaolinite-Various factors affecting theoretical prediction of the pH values are discussed, such as the concentration of dissolved silica, concentration of dissolved inorganic carbon and temperature-The model is verified by analyzing practical water samples-The pH calculated is in good agreement with the experimental results-The uncertainties in thermodynamic constants and measured input data are evaluted by the Monte Carlo simulation. |
| Key words: Aluminum buffering function acidic natural waters Monte Carlo simulation computer simulation |
