引用本文:唐才明,金佳滨,彭先芝.环境污染物计算毒理学分析及环境行为模拟研究进展[J].环境监控与预警,2016,8(2):1-8
TANG Cai ming,JIN Jia bin,PENG Xian zhi.Research Advances in Computational Toxicological Assessment and Environmental Behavior Modeling of Pollutants[J].Environmental Monitoring and Forewarning,2016,8(2):1-8
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环境污染物计算毒理学分析及环境行为模拟研究进展
唐才明,金佳滨,彭先芝1,2
1.中国科学院广州地球化学研究所,有机地球化学国家重点实验室,广东 广州 510640;2.中国科学院大学,北京 100049
摘要:
根据国内外研究报道,系统地总结了计算毒理学和化合物环境行为模拟在环境科学领域的研究进展,包括二者的概念、理论、研究方法以及在环境研究中的应用;分析了计算毒理学和化合物环境行为模拟在发展中所面临的挑战,并提出对策;展望了计算毒理学和化合物环境行为模拟在环境研究中的发展前景。
关键词:  计算毒理学  环境行为模拟  环境污染物  计算化学  逸度模型
DOI:
分类号:R994.6;X501
基金项目:国家自然科学基金资助项目 (41372358)
Research Advances in Computational Toxicological Assessment and Environmental Behavior Modeling of Pollutants
TANG Caiming,JIN Jiabin,PENG Xianzhi1,2
1.State Key Laboratory of Organic Geochemistry,Guangzhou Institute of Geochemistry,Chinese Academy of Sciences,Guangzhou,Guangdong 510640,China;2.University of Chinese Academy of Sciences,Beijing 100049,China
Abstract:
In light of published studies,we systematically reviewed the advances of computational toxicology and environmental behavior modeling in environmental research,including their concepts,theories,study methods,and applications. In addition,we analyzed the challenges during the development of computational toxicology and environmental behavior modeling,and proposed corresponding solutions. In the end,the developmental prospect of computational toxicology and environmental behavior modeling was positively anticipated.
Key words:  Computational toxicology  Environmental behavior modeling  Environmental pollutants  Computational chemistry  Fugacity model