Modeling sorption and diffusion of organic sorbate in hexadecyltrimethylammonium-modified clay nanopores - A molecular dynamics simulation study

Environmental Science and Technology

Volumn 47, Issue 6, 2013, Pages 2769-2776

  Zhao, Qian ^a   Burns, Susan E ^a  

^a Georgia Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENGINEERED MATERIALS; HEXADECYLTRIMETHYLAMMONIUM; MODIFIED MONTMORILLONITE; MOLECULAR DYNAMICS SIMULATIONS; NON-POLAR ORGANIC COMPOUNDS; NONPOLAR ORGANIC CONTAMINANTS; ORGANIC-MODIFIED CLAYS; SODIUM MONTMORILLONITE;

COMPOSITE FILMS; GEOSYNTHETIC MATERIALS; LOADING; MOLECULAR DYNAMICS; NANOPORES; ORGANIC COMPOUNDS; ORGANOCLAY; POLYPROPYLENES; POSITIVE IONS; SURFACE ACTIVE AGENTS;

DIFFUSION;

CETRIMIDE; MONTMORILLONITE;

DIFFUSION; FLOW MODELING; MASS TRANSPORT; MOLECULAR ANALYSIS; MONTMORILLONITE; PORE SPACE; SIMULATION; SORPTION;

ABSORPTION; ARTICLE; CLAY; DIFFUSION; MOLECULAR DYNAMICS; MOLECULAR SIZE; NANOPORE;

ADSORPTION; ALUMINUM SILICATES; BENTONITE; DIFFUSION; MOLECULAR DYNAMICS SIMULATION; NANOPORES; QUATERNARY AMMONIUM COMPOUNDS;

EID: 84875360893     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es3045482     Document Type: Article

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