干旱区生态环境知识资源中心(Arid): Thermodynamic Adsorption States of TNT and DNAN on Corundum and Hematite

Arid

DOI	10.1021/acs.jpcc.0c04512
	Thermodynamic Adsorption States of TNT and DNAN on Corundum and Hematite
	Jenness, Glen R.; Giles, Stephen A.; Shukla, Manoj K.
通讯作者	Jenness, Glen R. ; Shukla, Manoj K.
来源期刊	JOURNAL OF PHYSICAL CHEMISTRY C
ISSN	1932-7447
EISSN	1932-7455
出版年	2020
卷号	124 期号:25 页码:13837-13844
英文摘要	Adsorption isotherms are a critical tool in determining the transport of environmental contaminants through a particular media. Owing to the inherent heterogeneity of soils, the determination of which soil components are responsible for the adsorption and retention of a particular contaminant remains a challenge. In the current study, we consider several thermodynamic adsorption states in order to predict whether or not 2,4,6-trinitrotoluene (TNT) or 2,4-dinitroanisole (DNAN) would be either a ground-water contaminant or a soil contaminant. In order to reduce the complexity, we only consider two metal oxides (hematite and corundum) that are commonly found in arid regions. We have shown that TNT and DNAN bind favorably across all concentrations, temperatures, and surface hydration considered for alpha-Al2O3; however, only TNT was found to be bound for alpha-Fe2O3. Our results indicate that for soils rich in iron oxides, DNAN would be a ground-water contaminant.
类型	Article
语种	英语
国家	USA
收录类别	SCI-E
WOS记录号	WOS:000545668100035
WOS关键词	GAMMA-ALUMINA ; HYDROXYL-GROUPS ; 0001 SURFACE ; WATER ; EXPLOSIVES ; REACTIVITY ; STABILITY ; DFT ; 1ST-PRINCIPLES ; HYDROGENATION
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
资源类型	期刊论文
条目标识符	http://119.78.100.177/qdio/handle/2XILL650/319670
作者单位	US Army, Engineer Res & Dev Ctr, Environm Lab, Vicksburg, MS 39180 USA
推荐引用方式 GB/T 7714	Jenness, Glen R.,Giles, Stephen A.,Shukla, Manoj K.. Thermodynamic Adsorption States of TNT and DNAN on Corundum and Hematite[J],2020,124(25):13837-13844.
APA	Jenness, Glen R.,Giles, Stephen A.,&Shukla, Manoj K..(2020).Thermodynamic Adsorption States of TNT and DNAN on Corundum and Hematite.JOURNAL OF PHYSICAL CHEMISTRY C,124(25),13837-13844.
MLA	Jenness, Glen R.,et al."Thermodynamic Adsorption States of TNT and DNAN on Corundum and Hematite".JOURNAL OF PHYSICAL CHEMISTRY C 124.25(2020):13837-13844.