Modeling the Chemical Activity of Hydrophobic Organic Com- pounds in Water in the Presence of Co-Solutes

模拟存在共溶质的水中疏水性有机化合物的化学活性

• 批准号: 9223656
• 负责人: Chad Jafvert
• 金额: $ 22.52万
• 依托单位: Purdue Research Foundation
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-09-01 至 1997-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9223656&HistoricalAwards=false
• 关键词: Modeling; Chemical; Activity; Hydrophobic; Organic

9223656 Jafvert This is an award to support research, the objective of which is to determine the aqueous concentrations of select hydrophobic organic compounds, solubility of is enhanced by the presence of specific co-solutes of intermediate molecular weight. Research is expected to elucidate the mechanisms of enhancement and lead to an assessment of the environmental impact this characteristic has on the mobility and fate of the hydrophobic compounds selected for study. The investigator plans on using fluorescence quenching methods in his research to infer mechanistic information at and below the solubility limits for the selected hydrophobic organic compounds. He expects to formulate mechanistic and semi-empirical models that characterize the processes leading to solubility, determine the constants associated with these models and evaluate the quality of the models by conducting laboratory experiments. Results of this work are expected to increase our understanding of processes that control the movement and fate of a class of organic chemicals of limited solubility in water when they are subjected to environmental conditions that enhance their solubility. This enhanced understanding may be applied to assessing and modeling the impacts of hydrophobic hazardous chemicals contained in aquatic sediments as a step design of physical, chemical and biological remediation processes.

9223656 Jafvert这是一个支持研究的奖项，其目的是确定选定的疏水有机化合物的水溶液浓度，通过存在中等分子量的特定共溶质来增强溶解度。 预计研究将阐明增强的机制，并导致评估这一特性对选定用于研究的疏水化合物的流动性和归宿的环境影响。 研究人员计划在他的研究中使用荧光猝灭方法来推断所选疏水有机化合物的溶解度极限和溶解度极限以下的机械信息。 他希望制定机械和半经验模型，表征导致溶解度的过程，确定与这些模型相关的常数，并通过进行实验室实验来评估模型的质量。 这项工作的结果，预计将增加我们的理解过程中，控制一类有机化学品的运动和命运的水溶性有限，当他们受到环境条件，提高其溶解度。 这种增强的了解可用于评估和建模水生沉积物中所含疏水性危险化学品的影响，作为物理、化学和生物修复过程的步骤设计。