Numerical Simulation of Surfactant Enhanced Aquifer Remediation Processes at DNAPLs Contaminated Aquifer
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摘要: 根据含水层中水、表面活性剂和DNAPLs的运移规律和相互作用机理, 建立三维多相流数值模拟模型, 用以模拟表面活性剂强化的DNAPLs污染含水层的修复过程.将所建立的模型应用于一个被PCE污染的非均质含水层中, 并分别对污染物的污染过程以及修复过程进行模拟.研究结果表明: 数值模拟模型给出了表面活性剂强化含水层修复过程中非水相流体迁移转化的数学描述, 能够在短时间内、参数有限的条件下真实地刻画DNAPLs在含水层中的运移规律, 并能有效地模拟表面活性剂的修复过程.此外, 模拟结果显示, 由于表面活性剂对PCE的增溶增流作用, 有效地提高了PCE在水中的溶解性和迁移性, 其修复40 d的去除率达到63.5%, 与抽出处理法(去除率为31.8%)相比修复效果明显增强.Abstract: According to the migration of water, surfactant, DNAPLs (dense nonaqueous phase liquid), and their interaction mechanism, a three-dimensional numerical simulation model was build to simulate the process of surfactant enhanced aquifer remediation at DNAPLs contaminated aquifer. The model was applied to a heterogeneous PCE-contaminated aquifer for simulating both the contamination process and remediation process. The result show that the numerical simulation model provided the mathematical description of migration and fate of NAPLs (nonaqueous phase liquids) in surfactant enhanced aquifer remediation processes, and with limited time and parameters it can depict NAPLs migration law in aquifer realistically and simulate surfactant remediation processes effectively. Moreover, the modeling results show that, it's removal efficiency is 63.5% after 40 days remediation due to the solubilization and mobilization of surfactant which is 32% higher than that of pump and treat (removal efficiency is 31.8%).
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Key words:
- surfactant /
- dense nonaqueous phase liquid /
- numerical simulation /
- remediation
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图 1 NAPLs在地下环境系统中的迁移转化
a.LNAPLs在地下环境系统中的迁移变化；b.DNAPLs在地下环境系统中的迁移变化
Fig. 1. Migration and transformation of NAPLs in the subsurface environment
图 4 X-Y方向上污染阶段PCE的浓度分布(第12层)
Fig. 4. PCE concentration distribution at contaminate phase over the X-Y plane
图 5 X-Z方向上污染阶段PCE的浓度分布(第4列)
a.PCE泄露30 d的浓度分布；b.PCE泄露30 d、自由扩散60 d的浓度分布
Fig. 5. PCE concentration distribution at contaminate phase over the X-Z plane
图 7 X-Y方向上修复阶段PCE的浓度分布(第12层)
a.抽出处理法修复40 d后的浓度分布；b.表面活性剂修复40 d后的浓度分布
Fig. 7. PCE concentration distribution at remediation phase over the X-Y plane
图 8 X-Z方向上修复阶段PCE的浓度分布(第4列)
a.抽出处理法修复40 d后的浓度分布；b.表面活性剂修复40 d后的浓度分布
Fig. 8. PCE concentration distribution at remediation phase over the X-Z plane
表 1 未知量个数
Table 1. Number of the unknown variable
未知量 $\tilde{C}_{k} $ Ckl Sl Pl ρl krl μl 个数 N=3 n·np=9 np=3 np=3 np=3 np=3 np=3 共np(n+5)+n=27个基本变量，前面已经有了3个质量守恒方程，因此还需要24个辅助方程才能解此问题.辅助方程个数见表 2. 
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表 2 辅助方程个数
Table 2. Number of the auxiliary equation
辅助方程 个数 各相的饱和度之和为1 1 所有组分的浓度之和为1 1 每个相中，组分的相浓度之和为1 3 各相流体的密度和粘度都是压力的函数(Qin et al., 2007) 6 组分浓度与相浓度和饱和度之间的关系(陈月明, 1989) 8 相对渗透率是饱和度的函数(Brooks and Corey, 1966) 3 毛细压力是饱和度的函数(Van Genuchten, 1980; Parker et al., 1987) 2 以上共24个辅助方程，基本方程数与未知量个数相等，方程组可解.
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表 3 研究区物理、化学参数值
Table 3. Physical and chemical parameters in the research domain
参数 数值 参数 数值 孔隙度 0.34 水的粘度 0.001 Pa·s 水力梯度 0.004 706 PCE的粘度 0.000 89 Pa·s 纵向弥散度 0.03 m PCE与水间的界面张力 0.045 N·m-1 横向弥散度 0.009 m PCE在水中的溶解度 0.24 kg·m-3 水的密度 1.00 g/cm3 水残余饱和度 0.24 PCE的密度 1.62 g/cm3 PCE残余饱和度 0.17 表面活性剂的密度 1.15 g/cm3
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