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挥发性化合物的分子结构对水-气界面传质的作用

陈丽萍 吴慧芳 邓广发

陈丽萍, 吴慧芳, 邓广发. 挥发性化合物的分子结构对水-气界面传质的作用[J]. 环境科学研究, 2013, 26(10): 1103-1109.
引用本文: 陈丽萍, 吴慧芳, 邓广发. 挥发性化合物的分子结构对水-气界面传质的作用[J]. 环境科学研究, 2013, 26(10): 1103-1109.
CHEN Li-ping, WU Hui-fang, DENG Guang-fa. The Effect of Volatile Compounds'' Molecular Structure on Mass Transfer at Air-Water Interface[J]. Research of Environmental Sciences, 2013, 26(10): 1103-1109.
Citation: CHEN Li-ping, WU Hui-fang, DENG Guang-fa. The Effect of Volatile Compounds'' Molecular Structure on Mass Transfer at Air-Water Interface[J]. Research of Environmental Sciences, 2013, 26(10): 1103-1109.

挥发性化合物的分子结构对水-气界面传质的作用

基金项目: 国家自然科学基金项目(51109106);江苏省高校自然科学基金项目(11KJB570001)

The Effect of Volatile Compounds'' Molecular Structure on Mass Transfer at Air-Water Interface

  • 摘要: 利用能精确捕获水自由液面的VOF (Volume of fluid,体积百分比)法,建立挥发性化合物在无化学反应条件下的耦合扩散时空模型. 用W*(分子拓扑指数)表征化合物分子结构,将化合物传质系数——Schmid数与W*进行关联,结合亨利常数、Schmidt数与W*的关联式,预测乙醇、苯、己醛与2,2,4-三甲基戊点源泄漏后的质量浓度时空分布,预测结果与试验吻合较好. 烷基苯、醇、醛、烃类化合物的Schmidt数与W*0.25成线性关系. Schmidt数随分子间距减小而增大,烷基苯、醇、醛、烃类化合物在水中的Schmidt数约为空气中的600倍以上. 相同W*的化合物,Schmidt数随分子量增加而增大. 泄漏初期,亨利常数的作用高于Schmidt数,挥发强度随亨利常数的增加而增大,水中乙醇峰值浓度下降的平均速率仅是苯的45.1%;泄漏后期,Schmidt数起主要作用,挥发强度随Schmidt数减少而增大,苯的峰值浓度下降平均速率降低,乙醇峰值浓度下降平均速率比苯高120.0%. 己醛的W*是2,2,4-三甲基戊的16.27倍,但二者的亨利常数和Schmidt数很接近,挥发迁移过程极其相似.

     

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出版历程
  • 收稿日期:  2013-04-23
  • 修回日期:  2013-07-28
  • 刊出日期:  2013-10-25

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