Quantum mechanical predictions of the Henry's law constants and their temperature dependence for the 209 polychlorinated biphenyl congeners

Environmental Science and Technology

Volumn 42, Issue 22, 2008, Pages 8412-8418

  Phillips, Kathy L ^a   Sandler, Stanley I ^a   Greene, Richard W ^b,c   Di Toro, Dominic M ^c  

^a UNIVERSITY OF DELAWARE   (United States)

^b Delaware Department of Natural Resources and Environmental Control   (United States)

^c DUPONT COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ORGANIC POLLUTANTS; POLYCHLORINATED BIPHENYLS; PRINTED CIRCUIT BOARDS; PRINTED CIRCUITS; SOLVATION; TEMPERATURE DISTRIBUTION; WATER POLLUTION; FORECASTING; QUANTUM THEORY;

CONTINUUM SOLVATION MODELS; ENTHALPY OF SOLVATIONS; ENVIRONMENTAL TRANSPORTS; FATE MODELS; HENRY'S LAW CONSTANTS; LOW TEMPERATURES; POLAR INTERACTIONS; POLYCHLORINATED BIPHENYL CONGENERS; PREDICTION ERRORS; QUANTUM MECHANICALS; TEMPERATURE DATUMS; TEMPERATURE DEPENDENCES;

FORECASTING; C (PROGRAMMING LANGUAGE);

POLYCHLORINATED BIPHENYL;

ENTHALPY; ERROR ANALYSIS; LIQUID CHROMATOGRAPHY; LOW TEMPERATURE; MODEL TEST; PCB; QUANTUM MECHANICS; TEMPERATURE EFFECT;

ARTICLE; CHLORINATION; ENVIRONMENTAL HEALTH; LOW TEMPERATURE; QUANTUM MECHANICS; SOLVATION; TEMPERATURE DEPENDENCE;

ENVIRONMENTAL POLLUTANTS; MODELS, THEORETICAL; POLYCHLORINATED BIPHENYLS; QUANTUM THEORY; TEMPERATURE; THERMODYNAMICS;

CONTINUUM SOLVATION MODELS; ENTHALPY OF SOLVATION; ENVIRONMENTAL TRANSPORT; FATE MODEL; HENRY'S LAW CONSTANT; LOW TEMPERATURES; LOW-TEMPERATURE DATA; POLAR INTERACTIONS; POLYCHLORINATED BIPHENYL CONGENER; QUANTUM MECHANICAL; QUANTUM-MECHANICAL PREDICTIONS; ROOT-MEAN-SQUARE PREDICTIONS; TEMPERATURE DEPENDENCE;

EID: 56449095230     PISSN: 0013936X     EISSN: None     Source Type: Journal    
DOI: 10.1021/es800876w     Document Type: Article

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