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

文献类型：期刊论文

作者Li, Da1,2,3; Qi, Tao1,2; Gao, Yiying1
刊名CRYSTAL RESEARCH AND TECHNOLOGY
出版日期2018-03-01
卷号53期号:3
关键词Additive Ammonium Persulfate Materials Studio Molecular Simulation
ISSN号0232-1300
DOI10.1002/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)
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).

入库方式： OAI收割

来源：过程工程研究所

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