基于图像法的多孔介质双分子反应溶质运移模拟

doi:10.13745/j.esf.sf.2022.1.28

地学前缘 ›› 2022, Vol. 29 ›› Issue (3): 248-255.DOI: 10.13745/j.esf.sf.2022.1.28

基于图像法的多孔介质双分子反应溶质运移模拟

刘咏¹(), 张琪², 钱家忠²^,^*(), 吴盾³, 张文永³

1.合肥工业大学食品与生物工程学院, 安徽合肥 230601
2.合肥工业大学资源与环境工程学院, 安徽合肥 230009
3.安徽省煤田地质局勘探公司, 安徽合肥 230088

收稿日期:2021-07-01 修回日期:2022-02-18 出版日期:2022-05-25 发布日期:2022-04-28
通信作者: 钱家忠
作者简介:刘咏(1968—),女,教授,硕士生导师,主要从事地下水环境污染防治与修复研究工作。E-mail: liuyong@hfut.edu.cn
基金资助:
国家自然科学基金项目(41877191);国家自然科学基金项目(41831289);安徽省重点研究和开发计划项目(201904a07020071)

Simulation of bimolecular reactive solute transport in porous media via image analysis

LIU Yong¹(), ZHANG Qi², QIAN Jiazhong²^,^*(), WU Dun³, ZHANG Wenyong³

1. School of Food and Biological Engineering, Hefei University of Technology, Hefei 230601, China
2. School of Resources and Environmental Engineering, Hefei University of Technology, Hefei 230009, China
3. Exploration Research Institute, Anhui Provincial Bureau of Coal Geology, Hefei 230088, China

Received:2021-07-01 Revised:2022-02-18 Online:2022-05-25 Published:2022-04-28
Contact: QIAN Jiazhong

摘要/Abstract

摘要：

采用图像分析法确定溶质浓度,以硫酸铜和EDTA二钠作为双分子反应物,在多孔介质模型中开展了不同粒径(1.52.0,2.53.0,3.54.0 mm)和流量(1.0,1.5,2.0 mL/s)下反应性溶质运移实验,探讨了应用不完全混合的对流弥散模型(IM-ADRE)对双分子反应溶质运移的模拟和预测,并进行了参数敏感性分析。结果表明:图像分析法可准确获取多孔介质中显色反应性溶质的浓度,灰度值与浓度的决定系数R²大于0.96;用IM-ADRE模型能够准确预测双分子反应性溶质硫酸铜和EDTA二钠在3种不同多孔介质中的运移过程,误差低于3.71%;实验条件的改变对IM-ADRE模型参数D、m和β₀的影响显著,说明模型参数依赖于环境条件,其变化规律需要根据实际环境条件进一步率定,便于IM-ADRE模型的进一步推广应用。

关键词: 双分子反应性溶质运移, 多孔介质, 模拟, IM-ADRE模型, 图像法

Abstract:

In this study, reactive solute transport experiments in porous media were carried out under different particle sizes (ϕ1.5-2.0, 2.5-3.0, and 3.5-4.0 mm) and flow rates (1.0, 1.5, and 2.0 mL/s). We used copper sulfate and disodium EDTA as bimolecular reactors and simulated their transport via image analysis. The incomplete mixing advection-dispersion reaction equation (IM-ADRE) based simulation and prediction of bimolecular reactive solute transport was investigated, and parameter sensitivity analysis was performed. The results showed that the concentration of color reactive solutes in porous media can be accurately obtained via image analysis. The determination coefficient between the gray value and concentration was greater than 0.96. The IM-ADRE model gave high accuracy predictions for bimolecular reactive solute transport in porous media under different conditions, with less than 3.71% relative errors. The change of experimental conditions had significant effects on parameters D, M and β₀ of IM-ADRE model, indicating that the model parameters are dependent on the environmental conditions, and the dependency rules need to be further calibrated according to actual environmental conditions, which can help promoting IM-ADRE model applications.

Key words: bimolecular reactive solute transport, porous media, simulating, IM-ADRE model, image method

中图分类号:

P641.2
X143

刘咏, 张琪, 钱家忠, 吴盾, 张文永. 基于图像法的多孔介质双分子反应溶质运移模拟[J]. 地学前缘, 2022, 29(3): 248-255.

LIU Yong, ZHANG Qi, QIAN Jiazhong, WU Dun, ZHANG Wenyong. Simulation of bimolecular reactive solute transport in porous media via image analysis[J]. Earth Science Frontiers, 2022, 29(3): 248-255.

图/表 6

图1 实验装置

Fig.1 Experimental setup

图2 50 cm和100 cm处溶质的灰度值-浓度标准曲线

Fig.2 The standard curve of gray value-concentration for each solute at 50 cm and 100 cm

图3 不同粒径和流量条件下双分子反应溶质运移穿透曲线(100 cm处) 图中A-S,B-S,AB-S与A-E,B-E,AB-E分别为Na2EDTA2-,CuSO4,CuEDTA2-的实验值与拟合值;(a),(b),(c)分别代表流量为1.0 mL/s的3组粒径1.5~2.0,2.5~3.0,3.5~4.0 mm; (d),(e),(f)分别代表流量为1.5 mL/s的3组粒径1.5~2.0,2.5~3.0,3.5~4.0 mm; (g),(h),(i)分别代表流量为2.0 mL/s的3组粒径1.5~2.0,2.5~3.0,3.5~4.0 mm。

Fig.3 BTCs of bimolecular reactive solute transport under different flow rates and grain sizes (at 100 cm)

表1 流量与粒径对IM-ADRE模型拟合参数的影响(100 cm 处)(据文献[10])

Table 1 Effect of flow rate and grain size on the fitting parameters of IM-ADRE model (at 100 cm). Adapted from [10].

流量/(mL·s^-1)	粒径ϕ /mm	弥散系数D/(10^-5 m²·s^-1)	β₀/(m³·mol^-1·s^-1)	m	峰值拟合误差/%
1.0	1.52.0	1.27	698	1.26	1.30
	2.53.0	1.43	652	0.90	3.31
	3.54.0	2.30	535	0.41	3.71
1.5	1.52.0	1.44	699	1.19	1.41
	2.53.0	1.86	665	0.82	0.61
	3.54.0	2.79	598	0.36	1.39
2.0	1.52.0	1.89	712	1.18	2.52
	2.53.0	2.02	683	0.75	2.42
	3.54.0	2.79	604	0.28	2.09

图4 不同粒径和流量条件下反应性溶质运移穿透曲线(50 cm处) 图中A-S,B-S,AB-S与A-E,B-E,AB-E分别为Na2EDTA2-,CuSO4,CuEDTA2-的实验值与拟合值;(a),(b),(c)分别代表粒径为1.5~2.0 mm的3组流量1.0,1.5,2.0 mL/s;(d),(e),(f)分别代表粒径为2.5~3.0 mm的3组流量1.0,1.5,2.0 mL/s;(g),(h),(i)分别代表粒径为3.5~4.0 mm的3组流量1.0,1.5,2.0 mL/s。

Fig.4 BTCs of reactive solutes migration under different flow rates and grain sizes (at 50 cm)

表2 粒径和流量对IM-ADRE模型拟合参数的影响(50 cm处)(据文献[10])

Table 2 Effects of grain size and flow rate on the fitting parameters of IM-ADRE model (at 50 cm). Adapted from [10].

粒径ϕ /mm	流量/(mL·s^-1)	弥散系数D/(10^-5 m²·s^-1)	β₀/(m³·mol^-1·s^-1)	m	峰值拟合误差/%
1.52.0	1.0	0.97	672	1.23	3.33
	1.5	1.16	684	1.16	0.22
	2	1.49	692	1.14	0.89
2.53.0	1.0	1.17	628	0.86	0.96
	1.5	1.53	645	0.78	0.18
	2	1.69	657	0.75	1.04
3.54.0	1.0	1.86	535	0.41	3.71
	1.5	2.24	579	0.30	0.26
	2	2.79	604	0.28	0.22

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基于图像法的多孔介质双分子反应溶质运移模拟

Simulation of bimolecular reactive solute transport in porous media via image analysis

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