At Kuwana illegal dumping site in Japan, where hazardous waste was illegally dumped, groundwater was severely contaminated by Volatile Organic Compounds (VOCs). Groundwater was already remedied by conducting Pump-and-...At Kuwana illegal dumping site in Japan, where hazardous waste was illegally dumped, groundwater was severely contaminated by Volatile Organic Compounds (VOCs). Groundwater was already remedied by conducting Pump-and-Treat (P&T) after containment of all the waste by vertical slurry walls from 2002 to 2007. However, 1,4-dioxane was detected in both waste and groundwater outside of slurry walls after it was newly added into Japan environmental standards in late 2009, which suggested that the walls did not contain 1,4-dioxane completely. Our previous study developed a model to predict the 1,4-dioxane distribution in groundwater after the previous remediation at the site. In this study, numerical simulation was applied for remediation planning at the site based on the concept of Verified Follow Up (VF-UP) that had been proposed as a new approach to complete remediation effectively with consideration of future risks. The amount of waste to be removed and pumping plans were discussed by numerical simulation to achieve the remedial objective in which 1,4-dioxane in groundwater outside of walls is remedied within 10 years and 1,4-dioxane spreading throughout the walls is prevented in the case where a portion of waste is remained. Firstly, the amount of waste to be removed considering pumping plans for P&T was determined by scenario analysis. As a result, at least two-third of waste should be removed by combining with P&T. However, if the waste is remained, future risks of 1,4-dioxane spreading through the slurry walls may occur. Our simulation suggested that groundwater within the remaining waste must be pumped up at least 20 m3/d for containment of 1,4-dioxane within the remaining waste. In conclusion, our numerical simulation determined the amount of waste to be removed and the pumping plans for P&T to achieve the remedial objective effectively considering future risks based on the concept of VF-UP.展开更多
采用Co_(3)O_(4)吸附脱除模拟柴油中的喹啉、吡啶或苯胺,考察了最佳吸附温度、吸附时间等条件,同时进行了吸附热力学和动力学研究;基于第一性原理对Co_(3)O_(4)晶胞进行相分析,对3种氮化物进行最高占据分子轨道(HOMO)-最低未占据分子轨...采用Co_(3)O_(4)吸附脱除模拟柴油中的喹啉、吡啶或苯胺,考察了最佳吸附温度、吸附时间等条件,同时进行了吸附热力学和动力学研究;基于第一性原理对Co_(3)O_(4)晶胞进行相分析,对3种氮化物进行最高占据分子轨道(HOMO)-最低未占据分子轨道(LUMO)分析,计算了吸附构型的吸附能和最稳定吸附构型的Mulliken电荷转移与电子密度。结果表明:在15 mL模拟柴油中加入0.6 g Co_(3)O_(4),苯胺、吡啶、喹啉的最佳吸附温度分别为20、20和30℃,最佳吸附时间分别为30、30、40 min,吸附容量由大到小顺序均为苯胺>吡啶>喹啉。热力学与动力学分析表明,喹啉、吡啶、苯胺的吸附均更符合多分子层吸附的Freundlich模型和准二级动力学方程。HOMO-LUMO分析结果表明,Co_(3)O_(4)为电子接受体,3种氮化物为电子给予体,Co_(3)O_(4)对喹啉、吡啶的配位吸附结构最稳定,对苯胺的π络合吸附最稳定。电荷转移计算表明,苯胺、吡啶、喹啉向Co_(3)O_(4)团簇转移的电荷数分别为0.423、0.394、0.368,说明Co_(3)O_(4)吸附3种氮化物的吸附能力大小为苯胺>吡啶>喹啉;电子密度图结果表明,最稳定吸附结构中Co_(3)O_(4)与3种氮化物均形成了化学键。展开更多
文摘At Kuwana illegal dumping site in Japan, where hazardous waste was illegally dumped, groundwater was severely contaminated by Volatile Organic Compounds (VOCs). Groundwater was already remedied by conducting Pump-and-Treat (P&T) after containment of all the waste by vertical slurry walls from 2002 to 2007. However, 1,4-dioxane was detected in both waste and groundwater outside of slurry walls after it was newly added into Japan environmental standards in late 2009, which suggested that the walls did not contain 1,4-dioxane completely. Our previous study developed a model to predict the 1,4-dioxane distribution in groundwater after the previous remediation at the site. In this study, numerical simulation was applied for remediation planning at the site based on the concept of Verified Follow Up (VF-UP) that had been proposed as a new approach to complete remediation effectively with consideration of future risks. The amount of waste to be removed and pumping plans were discussed by numerical simulation to achieve the remedial objective in which 1,4-dioxane in groundwater outside of walls is remedied within 10 years and 1,4-dioxane spreading throughout the walls is prevented in the case where a portion of waste is remained. Firstly, the amount of waste to be removed considering pumping plans for P&T was determined by scenario analysis. As a result, at least two-third of waste should be removed by combining with P&T. However, if the waste is remained, future risks of 1,4-dioxane spreading through the slurry walls may occur. Our simulation suggested that groundwater within the remaining waste must be pumped up at least 20 m3/d for containment of 1,4-dioxane within the remaining waste. In conclusion, our numerical simulation determined the amount of waste to be removed and the pumping plans for P&T to achieve the remedial objective effectively considering future risks based on the concept of VF-UP.
文摘采用Co_(3)O_(4)吸附脱除模拟柴油中的喹啉、吡啶或苯胺,考察了最佳吸附温度、吸附时间等条件,同时进行了吸附热力学和动力学研究;基于第一性原理对Co_(3)O_(4)晶胞进行相分析,对3种氮化物进行最高占据分子轨道(HOMO)-最低未占据分子轨道(LUMO)分析,计算了吸附构型的吸附能和最稳定吸附构型的Mulliken电荷转移与电子密度。结果表明:在15 mL模拟柴油中加入0.6 g Co_(3)O_(4),苯胺、吡啶、喹啉的最佳吸附温度分别为20、20和30℃,最佳吸附时间分别为30、30、40 min,吸附容量由大到小顺序均为苯胺>吡啶>喹啉。热力学与动力学分析表明,喹啉、吡啶、苯胺的吸附均更符合多分子层吸附的Freundlich模型和准二级动力学方程。HOMO-LUMO分析结果表明,Co_(3)O_(4)为电子接受体,3种氮化物为电子给予体,Co_(3)O_(4)对喹啉、吡啶的配位吸附结构最稳定,对苯胺的π络合吸附最稳定。电荷转移计算表明,苯胺、吡啶、喹啉向Co_(3)O_(4)团簇转移的电荷数分别为0.423、0.394、0.368,说明Co_(3)O_(4)吸附3种氮化物的吸附能力大小为苯胺>吡啶>喹啉;电子密度图结果表明,最稳定吸附结构中Co_(3)O_(4)与3种氮化物均形成了化学键。
