Molecular dynamics simulation of interaction between calcite crystal and phosphonic acid molecules

Chinese Journal of Chemistry

Volumn 28, Issue 3, 2010, Pages 337-343

  Zeng, Jianping ^a,b   Zhang, Shuguang ^c   Gong, Xuedong ^a   Wang, Fengyun ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b YANCHENG INSTITUTE OF TECHNOLOGY   (China)

^c SHANDONG UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Binding energy; Calcite; Deformation energy; Molecular dynamics; Pair correlation function; Phosphonic acid; Scale inhibitor

Indexed keywords

EID: 77952494252     PISSN: 1001604X     EISSN: 16147065     Source Type: Journal    
DOI: 10.1002/cjoc.201090076     Document Type: Article

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