Molecular dynamics simulation for interaction of PESA and acrylic copolymers with calcite crystal surfaces

Desalination

Volumn 291, Issue , 2012, Pages 8-14

  Shi, Wen Yan ^a,b   Ding, Cheng ^a   Yan, Jin Long ^a   Han, Xiang Yun ^a   Lv, Zhi Min ^a   Lei, Wu ^b   Xia, Ming Zhu ^b   Wang, Feng Yun ^b  

^a YANCHENG INSTITUTE OF TECHNOLOGY   (China)

^b NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Acrylic copolymer; Molecular dynamics simulation; Pair correlation function; Polyepoxysuccinic acid; Scale inhibition mechanism

Indexed keywords

ACRYLATE COPOLYMERS; ACRYLIC CO-POLYMERS; CALCITE CRYSTALS; COMBINING PROCESS; DEFORMATION ENERGY; IONIC BONDS; MOLECULAR DYNAMICS METHODS; MOLECULAR DYNAMICS SIMULATIONS; NONBONDING ENERGY; PAIR CORRELATION FUNCTIONS; PROCESSING TEMPERATURE; SCALE INHIBITION; SCALE INHIBITOR;

BINDING ENERGY; CALCITE; CARBONATE MINERALS; CARBOXYLIC ACIDS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; POLYMERS;

COPOLYMERS;

ACID; CALCITE; CRYSTAL CHEMISTRY; EXPERIMENTAL STUDY; INHIBITION; MOLECULAR ANALYSIS; NUMERICAL MODEL; PERFORMANCE ASSESSMENT; POLYMER; REACTION KINETICS; WATER TREATMENT;

EID: 84862795786     PISSN: 00119164     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.desal.2012.01.019     Document Type: Article

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