从二元NAPL混合物中特征三乙烯和二烯的平衡溶解,作为分子结构的函数
Joe Boone Abbott1, Geoffrey R Tick2, Nihat Hakan Akyol3
1Department of Geological Sciences, University of Alabama, Tuscaloosa, AL 35487, USA.
Journal of hazardous materials
|September 19, 2025
概括
修复被非水相液体 (NAPLs) 污染的地下水是复杂的. 这项研究发现,NAPL混合物成分和分子结构显著影响污染物溶解,影响地下水清理策略.
科学领域:
- 环境科学 环境科学
- 地质化学 地质化学
- 化学工程是化学工程的重要组成部分.
背景情况:
- 由于复杂的溶解行为,地下水被非水相液体 (NAPLs) 污染带来了重大补救挑战.
- 了解影响NAPL释放污染物的因素对于有效的环境清洁至关重要.
- 纳普尔溶解行为的变化,特别是在多组分混合物中,导致修复工作的不确定性.
研究的目的:
- 量化NAPL散装碳链长度对二元NAPL混合物中三乙烯和二烯溶解的影响.
- 通过使用罗尔特定律来评估质量转移过程的理想性,并调查多元件NAPL系统中的偏差.
- 使用xlUNIFAC热力学模型建模相位平衡并估计活动系数.
主要方法:
- 进行了与含有三乙烯和二烯的二元NAPL源 (n-hexane,n-decane,n-hexadecane) 的平衡批量实验.
- 应用罗尔特定律来评估不同污染物分子分数的溶解过程的理想性.
- 利用半经验热力学模型xlUNIFAC来估计活动系数和模拟相位平衡.
主要成果:
- 溶解非理想性随着多组分NAPL混合物中三乙烯与多乙烯的分子分数比率下降而增加.
- 从劳尔特定律预测中观察到的偏差归因于影响质量转移的NAPL内部组件相互作用.
- 烯是一种芳香化合物,与三乙烯相比,它在不同的散装NAPL组件中表现出更不理想的溶解行为.
结论:
- 地下水中的水相污染物度高度依赖于复杂的多组分NAPL的组成和分子结构.
- 这些发现强调了考虑NAPL混合物特性对于准确地评估地下水污染和修复计划的重要性.
- 溶解行为受分子结构的影响,芳香化合物在这些系统中表现出比异性化合物更大的非理想性.
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