Vapor Pressures and Thermodynamic Properties of Complex

配合物的蒸气压和热力学性质

• 批准号: 6901547
• 负责人: Eric M Suuberg
• 金额: $ 22.47万
• 依托单位: BROWN UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-04-01 至 2009-03-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6901547
• 关键词: adsorption; biophysics; carbon; carbopolycyclic compound; environmental contamination; environmental protection; environmental transport; heterocyclic polycyclic compound; physical property; soil pollution; vapor; waste treatment

This project is concerned with the question of vapor pressures of marginally volatile organic compounds (VOC) or Semi-Volatile Organic Compounds (SVOC). Few data exist on the vapor pressures of high molecular weight compounds, such as make up tars and combustion byproducts. Even fewer data exist for polycyclic aromatics that contain heteroatoms. Many of these types pf compounds are important as contaminants in Brownfields or Superfund sites. There is significant concern related to vapor exposures at sites, and vapor pressure is the key parameter that determines exposure concentrations. Likewise, vapor pressure is a key factor determining some modes of transport of contaminants off site, as well as a design parameter for thermal desorption processes. This project will address the paucity of such basic thermodynamic data, through a series of measurements designed to fill in key gaps. In addition, there is only limited understanding of the mixture rules governing vapor pressure and other thermodynamic properties of mixtures of such high molecular weight compounds. This study will also seek to address questions related to mixture behavior of systems of high molecular weight. When is it acceptable to use ideal mixing laws, such as Raoult's Law, to characterize the behavior of mixtures of contaminants? Finally, Brownfields and Superfund sites always contain a complex soil matrix, in addition to the mixture of contaminant organics. The question is, what role does the soil play in adsorbing the compounds of interest? In particular, what role does the small but significant carbon content of most soils play in determining vapor pressure of organic contaminants? At what conditions? A subsidiary question to those being examined in the adsorption portion of this work is, how high must temperatures of thermal desorption processes be, in order to reduce the residual vapor pressures of contaminants to acceptable levels? The approach in this project is primarily experimental, but will always keep a view towards the need to determine reliable property correlations. The project team is already experienced in two critical areas for success on this project- measurements of vapor pressures of low volatility compounds and their mixtures, and adsorption of organics onto carbons in inorganic matrices.

该项目涉及微挥发性有机化合物（VOC）或半挥发性有机化合物（SVOC）的蒸气压问题。关于高分子量化合物（例如合成焦油和燃烧副产物）的蒸气压的数据很少。关于含有杂原子的多环芳烃的数据甚至更少。许多此类化合物在棕地或超级基金场地中都是重要的污染物。人们对现场的蒸气暴露非常关注，而蒸气压是决定暴露浓度的关键参数。同样，蒸气压是决定污染物离场某些传输模式的关键因素，也是热解吸过程的设计参数。该项目将通过一系列旨在填补关键空白的测量来解决此类基本热力学数据的缺乏问题。此外，对控制此类高分子量化合物的混合物的蒸气压和其他热力学性质的混合物规则的理解有限。这项研究还将寻求解决与高分子量系统的混合行为相关的问题。什么时候可以使用理想的混合定律（例如拉乌尔定律）来表征污染物混合物的行为？最后，除了污染物有机物的混合物外，棕地和超级基金场地总是含有复杂的土壤基质。问题 也就是说，土壤在吸附感兴趣的化合物方面起什么作用？特别是，大多数土壤中少量但重要的碳含量在确定有机污染物的蒸气压方面发挥什么作用？在什么条件下？对于在这项工作的吸附部分进行检查的人员来说，一个附属问题是，热解吸过程的温度必须有多高，才能将污染物的残余蒸气压降低到可接受的水平？该项目中的方法主要是实验性的，但始终关注确定可靠的属性相关性的需要。项目团队在该项目成功的两个关键领域已经拥有丰富的经验——低挥发性蒸气压的测量 化合物及其混合物，以及有机物在无机基质中的碳上的吸附。