Molecular dynamics simulation of secondary sorption behavior of montmorillonite modified by single chain quaternary ammonium cations

Environmental Science and Technology

Volumn 46, Issue 7, 2012, Pages 3999-4007

  Zhao, Qian ^a   Burns, Susan E ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALIPHATIC CHAINS; BENZENE MOLECULES; CARBON CHAINS; CLAY SURFACES; COMBINED FORCES; CONTROLLING FACTORS; DIFFERENT MECHANISMS; DOMINANT MECHANISM; EXPERIMENTAL OBSERVATION; HEXADECYLTRIMETHYLAMMONIUM; INTERLAYER SPACES; LONG CHAINS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR LEVELS; NON-POLAR; NON-POLAR ORGANIC COMPOUNDS; ORGANIC CATIONS; ORGANOCLAYS; QUATERNARY AMMONIUM; SINGLE CHAINS; SORBATES; SORPTION CAPACITIES; SORPTION MECHANISM; SURFACE ADSORPTION; SURFACE SITES; TETRAMETHYLAMMONIUM; TIME INTEGRATION; TOTAL ORGANIC CARBON; UPTAKE CAPACITY;

BENZENE; CHAIN LENGTH; CLAY MINERALS; MOLECULAR DYNAMICS; ORGANOCLAY; POSITIVE IONS; SURFACE ACTIVE AGENTS;

SORPTION;

ALIPHATIC COMPOUND; BENZENE; CARBON; CETRIMIDE; DECYLTRIMETHYLAMMONIUM; MONTMORILLONITE; QUATERNARY AMMONIUM DERIVATIVE; TETRAMETHYLAMMONIUM; UNCLASSIFIED DRUG;

ADSORPTION; AMMONIUM; BENZENE; CATION; EXPERIMENTAL STUDY; MOLECULAR ANALYSIS; MONTMORILLONITE; NUMERICAL MODEL; ORGANIC CARBON; ORGANIC COMPOUND; QUATERNARY; SURFACTANT;

ADSORPTION KINETICS; ARTICLE; CHEMICAL MODIFICATION; DENSITY; ISOTHERM; MOLECULAR DYNAMICS; PARTITION COEFFICIENT; SIMULATION; TOTAL ORGANIC CARBON;

ADSORPTION; ALUMINUM SILICATES; BENTONITE; BENZENE; CATIONS; CETRIMONIUM COMPOUNDS; DIFFUSION; MOLECULAR DYNAMICS SIMULATION; QUATERNARY AMMONIUM COMPOUNDS; SURFACE-ACTIVE AGENTS; THERMODYNAMICS;

EID: 84859334879     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es202115v     Document Type: Article

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