Prediction of soil sorption coefficients using model molecular structures for organic matter and the quantum mechanical COSMO-SAC model

Environmental Science and Technology

Volumn 45, Issue 3, 2011, Pages 1021-1027

  Phillips, Kathy L ^a   Di Toro, Dominic M ^b   Sandler, Stanley I ^a  

^a UNIVERSITY OF DELAWARE   (United States)

^b DUPONT COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DATA QUALITY; DESCRIPTORS; ENVIRONMENTAL FATE; FULVIC ACIDS; MODEL HUMIC ACIDS; NONIONIC; ORGANIC MATTER; ORGANIC MOLECULES; QUANTUM MECHANICAL; QUANTUM MECHANICS; ROOT-MEAN SQUARE ERRORS; SOIL ORGANIC MATTERS; SOIL PHASE; SOIL SORPTION COEFFICIENTS; WATER PARTITION COEFFICIENTS;

BIOGEOCHEMISTRY; BIOLOGICAL MATERIALS; FORECASTING; MOLECULAR STRUCTURE; ORGANIC ACIDS; ORGANIC SOLVENTS; QUANTUM THEORY; SOILS; SORPTION;

GEOLOGIC MODELS;

FULVIC ACID; HUMIC ACID; ORGANIC MATTER; ORGANIC SOLVENT; SOIL ORGANIC MATTER; WATER;

DATA QUALITY; FULVIC ACID; HUMIC ACID; PREDICTION; QUANTUM MECHANICS; SOIL CHEMISTRY; SOIL ORGANIC MATTER; SORPTION;

ARTICLE; CHEMICAL ANALYSIS; COSMO SAC MODEL; EXPERIMENTAL STUDY; MOLECULAR MODEL; QUANTUM MECHANICS; SOIL ANALYSIS; SOLUTE; STRUCTURE ANALYSIS;

ADSORPTION; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; ORGANIC CHEMICALS; QUANTUM THEORY; SOIL; SOIL POLLUTANTS;

EID: 79951506110     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es102760x     Document Type: Article

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