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多孔介质双分子反应溶质运移实验与模拟研究

Experimental and numerical simulation of bimolecular reactive transport in porous media

  • 摘要: 多孔介质中化学作用对溶质运移具有重要影响.为了揭示反应性溶质运移机理,保持多孔介质不变,以胺和1,2-萘醌-4-磺酸钠双分子化学反应为例,分别开展了非反应及反应条件下不同流速溶质运移实验和数值模拟研究.主要结论如下:①改进的反应性对流弥散模型能模拟双分子反应中溶质运移行为;模型可行,具有较高的精度;04 mL/s和08 mL/s流速下生成物峰值浓度相对误差分别为12%及08%.②利用对流弥散模型可以评估非反应物运移弥散系数,可为反应性溶质运移弥散系数识别提供技术参考.③随流量增大,模型参数m减小,而β0则增大;此外,同一物质在保持相同流量下,作为反应物出现时,其弥散系数略高于非反应物质的弥散系数,其作用机理有待进一步研究.

     

    Abstract: Chemical properties in a porous media have an important effect on solute transport. To study the solute transport affected by chemical reaction and flow rates, the properties of porous media were kept unchanged, and a case study of bimolecular reactive transport was conducted by using 1,2-naphthoquinone-4-sulfonic acid and aniline. Batch experiments and numerical simulations were conducted under different flow conditions, respectively. The main conclusions are as follows: ① The modified ADRE (advection-dispersion-reaction equation)model is feasible for bimolecular reactive transport with higher accuracy. The experimental results for reactive solute transport are in good agreement with those from the model of modified ADRE under the two different seepage velocities; the relative errors for the peak concentration of the product are 12% at 04 mL/s and 08% at 08 mL/s. ② The dispersion coefficient is identified for non-reactive transport by ADRE which can provide a technological reference to determine the dispersion coefficient for reactive transport. ③ With the increase of flow rates, the values of m decrease, while the values of β0 increase; in addition, the dispersion coefficients for reactive transport are slightly larger than that of non-reactive transport for the same solute at the same flow flux. Further mechanism study is needed.

     

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