Crystallization of Ammonium Persulfate in the Presence of an Additive: Experimental and Molecular Dynamics Simulation Studies

doi:10.1002/crat.201700280

CORC > 过程工程研究所 > 中国科学院过程工程研究所 > 湿法冶金清洁生产技术国家工程实验室

	Crystallization of Ammonium Persulfate in the Presence of an Additive: Experimental and Molecular Dynamics Simulation Studies
	Li, Da 1,2,3; Qi, Tao 1,2; Gao, Yiying 1
刊名	CRYSTAL RESEARCH AND TECHNOLOGY
	2018-03-01
卷号	53 期号:3
关键词	Additive Ammonium Persulfate Materials Studio Molecular Simulation
ISSN号	0232-1300
DOI	10.1002/crat.201700280
文献子类	Article
英文摘要	Binding energy effects have been considered the main cause behind additives hindering crystal growth. In this study, the effects of the diffusion coefficient between the additive and the crystal surface is further investigated. The influence of the additive sodium dodecyl benzene sulfonate (SDBS) on the morphology of ammonium persulfate (APS) crystals is investigated in both experimental procedures and molecular dynamics simulation studies. It is observed that the growth of (10-2) surface is more significantly inhibited by the addition of SDBS than is the formation of (11-1) surface, which contributes to an elongated morphology of the APS crystal. The mechanisms of this effect are examined by performing a molecular dynamics (MD) simulation. The interaction energy and the diffusion coefficient during crystal growth are calculated.
WOS关键词	CRYSTALS ; GROWTH ; PREDICTION ; IMPURITIES ; MODEL
WOS研究方向	Crystallography
语种	英语
WOS记录号	WOS:000428384000007
资助机构	National Natural Science Foundation of China(21406233)
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/24157]
专题	过程工程研究所_湿法冶金清洁生产技术国家工程实验室
作者单位	1.Natl Engn Lab Hydromet Cleaner Prod Technol, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Li, Da,Qi, Tao,Gao, Yiying. Crystallization of Ammonium Persulfate in the Presence of an Additive: Experimental and Molecular Dynamics Simulation Studies[J]. CRYSTAL RESEARCH AND TECHNOLOGY,2018,53(3).
APA	Li, Da,Qi, Tao,&Gao, Yiying.(2018).Crystallization of Ammonium Persulfate in the Presence of an Additive: Experimental and Molecular Dynamics Simulation Studies.CRYSTAL RESEARCH AND TECHNOLOGY,53(3).
MLA	Li, Da,et al."Crystallization of Ammonium Persulfate in the Presence of an Additive: Experimental and Molecular Dynamics Simulation Studies".CRYSTAL RESEARCH AND TECHNOLOGY 53.3(2018).