Thermodynamics of dimethylarsinic acid and arsenate interactions with hydrated iron-(oxyhydr)oxide clusters: DFT calculations

Environmental Science and Technology

Volumn 45, Issue 24, 2011, Pages 10438-10444

  Adamescu, Adrian ^a   Hamilton, I P ^a   Al Abadleh, Hind A ^a  

^a WILFRID LAURIER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC SPECIATION; COMPUTATIONAL WORK; DFT CALCULATION; DIMETHYLARSINIC ACIDS; ENVIRONMENTAL SAMPLE; HYDRATED COMPLEXES; INFRARED SPECTROSCOPIC; LIGAND EXCHANGE REACTIONS; OUTER-SPHERE COMPLEXES; OUTERSPHERE; OXIDE CLUSTERS; PETROCHEMICAL REFINING; PHOSPHORUS SPECIES; PYROLYSIS PRODUCTS; SPECTROSCOPIC DATA; STRETCHING FREQUENCY; SURFACE COMPLEXATION; SURFACE INTERACTIONS;

ADSORPTION; ARSENIC; ARSENIC COMPOUNDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DESORPTION; FOSSIL FUELS; FREE ENERGY; GIBBS FREE ENERGY; HYDRATION; PHOSPHORUS; PYROLYSIS; SPHERES; THERMODYNAMICS;

IRON COMPOUNDS;

ARSENIC ACID; CACODYLIC ACID; IRON (OXYHYDR)OXIDE; OXIDE; PHOSPHORUS; UNCLASSIFIED DRUG;

ARSENATE; ARSENIC; CATALYST; CHEMICAL BONDING; COMPLEXATION; FOSSIL FUEL; GIBBS FREE ENERGY; HYDRATION; INFRARED SPECTROSCOPY; IRON OXIDE; LIGAND; ORGANIC ACID; PH; PHOSPHORUS; PYROLYSIS; REFINING INDUSTRY; SPECIATION (CHEMISTRY); THERMODYNAMICS; TRANSFORMATION; X-RAY SPECTROSCOPY;

ADSORPTION; ARTICLE; CALCULATION; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; DESORPTION; HYDRATION; INFRARED SPECTROSCOPY; PH MEASUREMENT; SIMULATION; THERMAL ANALYSIS; THERMODYNAMICS; X RAY ANALYSIS;

ARSENATES; CACODYLIC ACID; ENVIRONMENTAL POLLUTANTS; FERRIC COMPOUNDS; LIGANDS; MODELS, CHEMICAL; THERMODYNAMICS;

EID: 83455246011     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es202749h     Document Type: Article

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