Molecular dynamics simulations of structural transformation of perfluorooctane sulfonate (PFOS) at water/rutile interfaces

Chemosphere

Volumn 134, Issue , 2015, Pages 272-278

  He, Guangzhi ^a   Zhang, Meiyi ^a   Zhou, Qin ^a   Pan, Gang ^a  

^a RESEARCH CENTER FOR ECO ENVIRONMENTAL SCIENCES   (China)

Author keywords

Assembling structure; Concentration effect; Environmental factors; Interfacial behavior; Perfluorinated compounds; Salinity effect

Indexed keywords

MOLECULAR DYNAMICS; MOLECULES; MONOLAYERS; OXIDE MINERALS; SUSPENDED SEDIMENTS; TITANIUM DIOXIDE; VAN DER WAALS FORCES;

ASSEMBLING STRUCTURES; CONCENTRATION EFFECTS; ENVIRONMENTAL FACTORS; INTERFACIAL BEHAVIORS; PERFLUORINATED COMPOUNDS; SALINITY EFFECTS;

CHLORINE COMPOUNDS;

CALCIUM CHLORIDE; CALCIUM ION; PERFLUOROOCTANESULFONIC ACID; POTASSIUM ION; TITANIUM DIOXIDE; WATER; ALKANESULFONIC ACID; FLUOROCARBON; TITANIUM; WATER POLLUTANT;

ADSORPTION; CONCENTRATION (COMPOSITION); INTERFACE; MOLECULAR ANALYSIS; SALT; SIMULATION; SULFONATE;

ADSORPTION; ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONCENTRATION (PARAMETERS); MOLECULAR DYNAMICS; SALINITY; ANALYSIS; CHEMISTRY; WATER POLLUTANT;

ADSORPTION; ALKANESULFONIC ACIDS; FLUOROCARBONS; MOLECULAR DYNAMICS SIMULATION; SALINITY; TITANIUM; WATER; WATER POLLUTANTS, CHEMICAL;

EID: 84930582757     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2015.04.056     Document Type: Article

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