Application of a Novel Coarse-Grained Soil Organic Matter Model in the Environment

CORC > 生态环境研究中心 > 中国科学院生态环境研究中心 > 环境化学与生态毒理学国家重点实验室

	Application of a Novel Coarse-Grained Soil Organic Matter Model in the Environment
	Feng, Hongru; Zhang, Haiyan; Cao, Huiming; Sun, Yuzhen; Zhang, Aiqian; Fu, Jianjie
刊名	ENVIRONMENTAL SCIENCE & TECHNOLOGY
	2018-12-18
卷号	52 期号:24 页码:14228-14234
ISSN号	0013-936X
文献子类	Article
英文摘要	Soil organic matter (SOM) is ubiquitous in the environment. Intensive efforts have been made to find effective ways to assess the interaction of SOM with contaminants since such interactions are one of the important criteria used to evaluate the migration, persistency and bioavailability of chemicals in the environment. This study aims to extend the application of coarse-grained (CG) dissipative particle dynamics (DPD) to the water/SOM system and predict contaminant mobility in the system. The CG model was based on the Vienna Soil-Organic-Matter Modeler, which can generate flexible condensed-phase models of SOM. A series of DPD simulations was performed to investigate the mobility of perfluorinated sulfonic acids (PFSAs) and hexachlorobutadiene (HCBD). The results indicated that the mobility of PFSAs decreased with increasing length in the carbon chain. In addition, HCBD and hexachlorobenzene (HCB) have similar diffusion coefficients, indicating analogous behavior in SOM. Moreover, water-containing SOM layers may reflect a more realistic situation. This work, coupling the CG method with DPD simulation, provides a new high-efficiency tool to assess the behavior of contaminants in the environment.
内容类型	期刊论文
源URL	[http://ir.rcees.ac.cn/handle/311016/40881]
专题	生态环境研究中心_环境化学与生态毒理学国家重点实验室
推荐引用方式 GB/T 7714	Feng, Hongru,Zhang, Haiyan,Cao, Huiming,et al. Application of a Novel Coarse-Grained Soil Organic Matter Model in the Environment[J]. ENVIRONMENTAL SCIENCE & TECHNOLOGY,2018,52(24):14228-14234.
APA	Feng, Hongru,Zhang, Haiyan,Cao, Huiming,Sun, Yuzhen,Zhang, Aiqian,&Fu, Jianjie.(2018).Application of a Novel Coarse-Grained Soil Organic Matter Model in the Environment.ENVIRONMENTAL SCIENCE & TECHNOLOGY,52(24),14228-14234.
MLA	Feng, Hongru,et al."Application of a Novel Coarse-Grained Soil Organic Matter Model in the Environment".ENVIRONMENTAL SCIENCE & TECHNOLOGY 52.24(2018):14228-14234.