多环芳烃混合物在表面活性剂胶束体系中的增溶机制研究
发布时间：2021-07-09 20:46
由于化石燃料需求量和使用量的持续增长以及溢油事故的频繁发生,这些过程产生的多环芳烃（polycyclic aromatic hydrocarbons,PAHs）进入到环境中对人类的健康和生态系统造成严重威胁。根据2014年4月颁布的全国土壤污染状况调查公报,PAHs是我国土壤中第二大类型的有机污染物。表面活性剂增效修复（Surfactant-enhanced remediation,SER）技术是一种高效修复PAHs污染环境的方法,能促进PAHs从非水相溶液/土壤迁移至水相,提高PAHs的有效性,从而便于进行后续处理（如生物降解和高级氧化）。PAHs分为2-3个苯环组成的低分子量和4个及以上苯环组成的高分子量的PAHs,主要以复合物的形式存在于实际污染环境中。已有的研究更多集中于表面活性剂对单一PAHs的去除效果,而关于不同PAHs混合污染物之间的相互作用对表面活性剂增效修复效率的影响鲜有报道。此外,关于PAHs在表面活性剂胶束中的共存机制也有待研究。本论文基于实际污染场地的复合污染特征,研究了低分子量PAHs和高低分子量PAHs的混合增溶特性,并结合分子动力学模拟方法剖析PAHs在胶...
【文章来源】：华南理工大学广东省 211工程院校 985工程院校 教育部直属院校
【文章页数】：149 页
【学位级别】：博士
【文章目录】：
摘要
Abstract
Chapter 1 Introduction
1.1 Background on polycyclic aromatic hydrocarbons (PAHs)
1.1.1 Pollution situation of PAHs
1.1.2 Detrimental effects of PAHs
1.2 Overview of surfactant-based remediation technologies for the decontamination ofPAH-polluted environments
1.2.1 Surfactant-enhanced remediation (SER)
1.2.2 Surfactant-enhanced bioremediation (SEBR)
1.2.3 Surfactant-enhanced phytoremediation (SEPR)
1.2.4 SER-advanced oxidation processes (AOPs)
1.3 Drivers of SER in PAH decontamination
1.3.1 Factors affecting surfactants‘ solubilization power
1.3.2 Factors affecting adsorption of surfactants onto soil matrix
1.4 Research questions to be addressed
1.5 Research objectives
Chapter 2 Molecular dynamics simulation and its application in studying solubilizationcharacteristics
2.1 Molecular dynamics simulation
2.2 The classical force field (FF)
2.3 Periodic boundary condition (PBC)
2.4 Simulation in constant pressure and temperature
2.4.1 Control of the temperature
2.4.2 Control of the pressure
2.5 Applications of MD in studying solubilization process
Chapter 3 Competitive solubilization of LMW PAHs in single and mixed micelle systems
3.1 Materials and methods
3.1.1 Materials
3.1.2 Methods
3.2 Results and discussion
3.2.1 Micelle characteristics
3.2.2 Solubilization and cosolubilization of LMW PAHs in surfactant systems
3.2.3 Locus of solubilization
3.2.4 PAH-PAH interaction in the micelle
3.3 Conclusions
Chapter 4 Cosolubilization phenomena occurred in codesorption of PAH mixtures during soilflushing
4.1 Materials and methods
4.1.1 Materials
4.1.2 Methods
4.2 Results and discussion
4.2.1 Solubilization and cosolubilization of PHE and PYR in different surfactantsystems
4.2.2 Adsorption of TX100 onto soil
4.2.3 Desorption and codesorption of PHE and PYR from soil
4.2.4 Effect of soil composition and PAH properties
4.2.5 Distribution of PAHs between soil and aqueous surfactant solution
4.3 Conclusions
Chapter 5 Atomistic simulation of solubilization of PAHs in a sodium dodecyl sulfate micelle
5.1 Simulation Details
5.1.1 Model systems
5.1.2 Simulation details
5.2 Results and discussion
5.2.1 Distribution and movements of PAHs in the SDS micelle
5.2.2 PAH-PAH and PAH-water interaction inside the micelle
5.2.3 Effect of solubilized PAHs on micelle dynamics and structural properties
5.3 Conclusions
Conclusions, innovations and future prospects
Conclusions
Innovations
Future prospects
References
攻读博士期间取得的研究成果
致谢
附件
【参考文献】：
期刊论文
[1]用木蜡修饰土壤颗粒抑制沙土水分蒸发的研究(英文)[J]. 张增志,王宏娟,李翠兰. Journal of Forestry Research. 2009(01)
[2]Polycyclic Aromatic Hydrocarbons in Agricultural Soils of the Southern Subtropics,China[J]. HAO Rong~(1,2) WAN Hong-Fu~2 SONG Yan-Tun~3 JIANG Hong~4 PENG Shao-Lin~(3,*2) 1 South China Botanical Garden,Chinese Academy of Sciences,Guangzhou 510650 (China) 2 Guangdong Key Laboratory of Agricultural Environment Pollution Integrated Control,Guangdong Institute of Eco-Environment and Soil Sciences,Guangzhou 510650 (China) 3 School of Life Science,Sun Yat-Sen University,Guangzhou 510275 (China) 4 Conservation Biology Institute,260 SW Madison Ave.,Suite 106 Corvallis,OR 97333 (USA). Pedosphere. 2007(05)
本文编号：3274468
【文章来源】：华南理工大学广东省 211工程院校 985工程院校 教育部直属院校
【文章页数】：149 页
【学位级别】：博士
【文章目录】：
摘要
Abstract
Chapter 1 Introduction
1.1 Background on polycyclic aromatic hydrocarbons (PAHs)
1.1.1 Pollution situation of PAHs
1.1.2 Detrimental effects of PAHs
1.2 Overview of surfactant-based remediation technologies for the decontamination ofPAH-polluted environments
1.2.1 Surfactant-enhanced remediation (SER)
1.2.2 Surfactant-enhanced bioremediation (SEBR)
1.2.3 Surfactant-enhanced phytoremediation (SEPR)
1.2.4 SER-advanced oxidation processes (AOPs)
1.3 Drivers of SER in PAH decontamination
1.3.1 Factors affecting surfactants‘ solubilization power
1.3.2 Factors affecting adsorption of surfactants onto soil matrix
1.4 Research questions to be addressed
1.5 Research objectives
Chapter 2 Molecular dynamics simulation and its application in studying solubilizationcharacteristics
2.1 Molecular dynamics simulation
2.2 The classical force field (FF)
2.3 Periodic boundary condition (PBC)
2.4 Simulation in constant pressure and temperature
2.4.1 Control of the temperature
2.4.2 Control of the pressure
2.5 Applications of MD in studying solubilization process
Chapter 3 Competitive solubilization of LMW PAHs in single and mixed micelle systems
3.1 Materials and methods
3.1.1 Materials
3.1.2 Methods
3.2 Results and discussion
3.2.1 Micelle characteristics
3.2.2 Solubilization and cosolubilization of LMW PAHs in surfactant systems
3.2.3 Locus of solubilization
3.2.4 PAH-PAH interaction in the micelle
3.3 Conclusions
Chapter 4 Cosolubilization phenomena occurred in codesorption of PAH mixtures during soilflushing
4.1 Materials and methods
4.1.1 Materials
4.1.2 Methods
4.2 Results and discussion
4.2.1 Solubilization and cosolubilization of PHE and PYR in different surfactantsystems
4.2.2 Adsorption of TX100 onto soil
4.2.3 Desorption and codesorption of PHE and PYR from soil
4.2.4 Effect of soil composition and PAH properties
4.2.5 Distribution of PAHs between soil and aqueous surfactant solution
4.3 Conclusions
Chapter 5 Atomistic simulation of solubilization of PAHs in a sodium dodecyl sulfate micelle
5.1 Simulation Details
5.1.1 Model systems
5.1.2 Simulation details
5.2 Results and discussion
5.2.1 Distribution and movements of PAHs in the SDS micelle
5.2.2 PAH-PAH and PAH-water interaction inside the micelle
5.2.3 Effect of solubilized PAHs on micelle dynamics and structural properties
5.3 Conclusions
Conclusions, innovations and future prospects
Conclusions
Innovations
Future prospects
References
攻读博士期间取得的研究成果
致谢
附件
【参考文献】：
期刊论文
[1]用木蜡修饰土壤颗粒抑制沙土水分蒸发的研究(英文)[J]. 张增志,王宏娟,李翠兰. Journal of Forestry Research. 2009(01)
[2]Polycyclic Aromatic Hydrocarbons in Agricultural Soils of the Southern Subtropics,China[J]. HAO Rong~(1,2) WAN Hong-Fu~2 SONG Yan-Tun~3 JIANG Hong~4 PENG Shao-Lin~(3,*2) 1 South China Botanical Garden,Chinese Academy of Sciences,Guangzhou 510650 (China) 2 Guangdong Key Laboratory of Agricultural Environment Pollution Integrated Control,Guangdong Institute of Eco-Environment and Soil Sciences,Guangzhou 510650 (China) 3 School of Life Science,Sun Yat-Sen University,Guangzhou 510275 (China) 4 Conservation Biology Institute,260 SW Madison Ave.,Suite 106 Corvallis,OR 97333 (USA). Pedosphere. 2007(05)
本文编号：3274468
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