论文部分内容阅读
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 ,讨论了影响铝形态分布的各种因素 .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切相关 ,聚合态铝浓度较低 ,总溶解铝浓度明显减小约 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MonteCarlo模拟考察了由于平衡常数的选择而带来的不确定性 .
Based on the thermodynamic equilibrium calculation, the morphological distribution of aluminum in acidic natural surface water, which is in equilibrium with the kaolinite solid phase, was studied by computer simulation and various factors influencing the distribution of aluminum species were discussed. Compared with the solid phase equilibrium of gibbsite, The morphology distribution of aluminum is closely related to the concentration of dissolved silicic acid in acidic natural surface water which is in equilibrium with the kaolinite solid phase. The concentration of polymerized aluminum is low and the concentration of total dissolved aluminum is obviously reduced by about 2 orders of magnitude. The results of the water samples are in good agreement with the experimental data.Finally Monte Carlo simulation is used to investigate the uncertainty due to the choice of the equilibrium constants.