| 与高岭石固相平衡的酸性天然地表水中铝形态分布的计算机模拟 |
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| 引用本文： | 刘锋,毕树平,汤伟.与高岭石固相平衡的酸性天然地表水中铝形态分布的计算机模拟[J].湖泊科学,2000,12(4):311-320. |
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| 作者姓名： | 刘锋 毕树平 汤伟 |
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| 作者单位： | 南京大学化学系，南京 210093 |
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| 基金项目： | 国家自然科学基金资助课题!(4 98310 0 5，2 97770 13) |
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| 摘 要： | 基于热力学平衡计算，用计算机模拟研究了与高岭石固相平衡的酸性天然地表水中铝的形态分布，讨论了影响铝莆态分布的各种因素，同三水铝石固相平衡相比，与高岭石固相平衡的酸性天然地表水中，铝的形态分布与溶解硅酸的浓度密度相关，聚合态铝浓度较低，总溶解铝浓度明湿减小约２个数量级，模型被用于实际水样的分析，所得结果与实验值符合较好，最后用Ｍｏｎｔｅ Ｃａｒｌｏ模拟考察了由于平衡常数的选择而带来的不确定性。
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| 关 键 词： | 铝形态分布 高岭石 酸性天然水 计算机模拟 |
| 收稿时间： | 1999/12/17 0:00:00 |
| 修稿时间： | 1999年12月17 |
Computer Simulation of the Speciation of Aluminum in Acidic Natural Waters in Equil ibria with the Mineral Phase Kaolinite |
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| LIU Feng,BI Shuping and TANG Wei.Computer Simulation of the Speciation of Aluminum in Acidic Natural Waters in Equil ibria with the Mineral Phase Kaolinite[J].Journal of Lake Science,2000,12(4):311-320. |
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| Authors: | LIU Feng BI Shuping and TANG Wei |
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| Institution: | Departmentof Chemistry, Nanjing University, Nanjing 210093, P.R.China,Departmentof Chemistry, Nanjing University, Nanjing 210093, P.R.China and Departmentof Chemistry, Nanjing University, Nanjing 210093, P.R.China |
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| Abstract: | This paper presents a computer simulation to investigate the speciation of aluminum in acidic natural waters equilibria with mineral kaolinite based on the chemical equilibrium calculation. Various factors affecting the distribution and concentrations of aluminum complexes are discussed. Compared with the case of equilibria with gibbsite, some unique characteristics are discovered. This simulation has been verified by analyzing practical water samples and found in near perfect agreement with the experimental results. The uncertainties in thermodynamic constants are evaluated by the Monte Carlo simulation. |
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| Keywords: | Aluminum speciation acid natural waters kaolinite Monte Carlo simulation computer simulation |
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