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.

本项目关注的是边际挥发性有机化合物（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，如合成焦油和燃烧副产物的蒸气压数据很少。含有杂原子的多环芳烃的数据甚至更少。许多这些类型的化合物是重要的污染物在棕地或超级基金网站。有一个重大的关注与蒸汽暴露在网站上，蒸汽压力是决定暴露浓度的关键参数。同样，蒸汽压是决定污染物离开现场的某些运输模式的关键因素，也是热解吸工艺的设计参数。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，对控制这种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体系的混合物行为有关的问题。什么时候可以使用理想的混合定律，如拉乌尔定律，来描述污染物混合物的行为？最后，棕地和超级基金场地总是包含复杂的土壤基质，除了污染物有机物的混合物。问题 土壤在吸附目标化合物时扮演什么角色？特别是，在确定有机污染物的蒸汽压方面，大多数土壤中少量但重要的碳含量起着什么作用？在什么条件下？一个附属的问题，那些正在审查的吸附部分的这项工作是，有多高的温度必须热解吸过程，以减少残余蒸汽压的污染物到可接受的水平？该项目的方法主要是实验性的，但将始终着眼于确定可靠的属性相关性的需要。该项目团队已经在两个关键领域取得了成功，这两个领域是低挥发性蒸汽压测量 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。