Thermodynamic Modeling of Atmospheric Organic Particulate Matter (OPM) in Salt-Containing, Potentially Multi-Phasic Particulate Matter (PM) Systems

含盐、潜在多相颗粒物 (PM) 系统中大气有机颗粒物 (OPM) 的热力学建模

• 批准号: 0917874
• 负责人: James Pankow
• 金额: $ 3.38万
• 依托单位: Portland State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-10-01 至 2009-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0917874&HistoricalAwards=false
• 关键词: Thermodynamic; Modeling; Atmospheric; Organic; Particulate

This project involves the further development and evaluation of a unified modeling framework that simulates the thermodynamics of gas/particle partitioning of mixtures of inorganic and organic compounds in multiple phases. The project contains three major objectives - the development of a multi-phase equilibrium modeling framework by expanding an existing gas/particle partitioning approach for non-ionic species to a system with dissolved ions and developing a one-dimensional box model to simulate secondary aerosol formation for a mixed inorganic/organic salt/water system; the prediction of activity coefficients for such a mixed system; and the evaluation of such a modeling framework using available aerosol laboratory measurements and testing it in a one-dimensional box model that includes the emissions of volatile organic compounds, gas-phase chemistry and gas/particle partitioning. One female graduate student will be supported by this award.

该项目涉及对统一建模框架的进一步开发和评估，该框架模拟多相中无机和有机化合物混合物的气体/颗粒分配的热力学。该项目包含三个主要目标 - 通过将非离子物质的现有气体/颗粒分配方法扩展到具有溶解离子的系统来开发多相平衡建模框架，并开发一维盒模型来模拟混合无机/有机盐/水系统的二次气溶胶形成；这种混合系统的活动系数的预测；使用现有的气溶胶实验室测量结果评估这种建模框架，并在一维盒模型中对其进行测试，其中包括挥发性有机化合物的排放、气相化学和气体/颗粒分配。该奖项将支持一名女研究生。