有机污染物环境逸度模型构建及软件化

李俊明<sup>1; 2</sup>; 王斌<sup>2; 3*</sup>; 衡利苹<sup>1</sup>; 余刚<sup>2; 3</sup>

引用本文:	李俊明，王斌，衡利苹，余刚.有机污染物环境逸度模型构建及软件化[J].环境监控与预警,2022,14(5):94-99
	LI Jun-ming, WANG Bin, HENG Li-ping, YU Gang.The Software Development of Fugacity Model of Organic Pollutants[J].Environmental Monitoring and Forewarning,2022,14(5):94-99

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有机污染物环境逸度模型构建及软件化
李俊明，王斌，衡利苹，余刚^1,2,3
1.北京航空航天大学化学学院，北京 100191;2.清华大学环境学院，环境前沿技术北京实验室，新兴有机污染物控制北京市重点实验室，北京 100084;3.清华苏州环境创新研究院，江苏苏州 215163

摘要:

目前研究人员已经可以通过建立模型来评估有机物的环境风险并研究其在多介质环境中的迁移与转化。针对多介质逸度模型中的参数繁多，不利于研究人员模拟有机污染物的归趋状况的问题，现基于Ⅲ级多介质环境逸度模型，采用Python编程语言进行软件设计，完成有机物在环境各介质中的分布模拟功能，并在此基础上集成参数灵敏度和模型不确定度分析功能，且对用户提供了友好的图形界面。以北京地区地表水环境中的药物和个人护理品（PPCPs）为例，研究结果表明该软件得到的模拟值与实测值有较好的吻合度，可为有机物的区域环境污染和风险评估提供参考。

关键词: 逸度模型多介质环境软件化灵敏度分析不确定分析

DOI：

分类号:X820.4

基金项目:国家自然科学基金资助项目（52091544）

The Software Development of Fugacity Model of Organic Pollutants

LI Jun-ming, WANG Bin, HENG Li-ping, YU Gang^1,2,3

1. School of Chemistry, Beihang University, Beijing 100191, China;2. Beijing Laboratory of Environmental Frontier Technology, Beijing Key Laboratory of Emerging Organic Contaminants Control, School of Environment, Tsinghua University, Beijing 100084, China;3. Research Institute for Environmental Innovation Tsinghua, Suzhou， Jiangsu 215163，China

Abstract:

Researchers have now been able to assess the environmental risk of organics and study their transportation and transformation in a multi media environment by building models. The multi medium fugacity model has a large number of parameters, which is not conducive to the simulation of the organic pollutant fate. To address this problem, this paper adopts the Python to design software based on the class III multi media environmental fugacity model. The simulation function of the distribution of organic substances in various environmental media has been completed, and the parameter sensitivity and model uncertainty analysis functions has been integrated as well, and it provides a user friendly graphical interface for users. Taking pharmaceuticals and personal care products (PPCPs) in Beijing environment as an example, the study results show that the simulated values obtained by the software have a good match with the measured values, and the research results can provide a reference for regional environmental pollution and risk assessment of organic matter.

Key words: Fugacity model Multi media environment Software development Sensitivity analysis Uncertainty analysis.