Predictions for isomer distributions of toxic dioxins and furans in selected industrial combustion processes

Chemosphere

Volumn 46, Issue 9-10, 2002, Pages 1287-1292

  Tan, Pengfu ^a   Hurtado, Iaki ^a   Neuschütz, Dieter ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Database; Group Additivity; MNDO; PCDD Fs; PM3; Thermodynamic

Indexed keywords

COMBUSTION; DATABASE SYSTEMS; THERMODYNAMICS;

MOLECULAR MODELING;

ISOMERS;

DIOXIN; FURAN DERIVATIVE; POLYCHLORINATED DIBENZODIOXIN;

COMBUSTION;

ANALYTIC METHOD; ARTICLE; COMBUSTION; DATA BASE; ISOMER; MOLECULAR MODEL; SIMULATION; THERMODYNAMICS;

BENZOFURANS; DATABASES, FACTUAL; FORECASTING; INCINERATION; INDUSTRIAL WASTE; ISOMERISM; MODELS, MOLECULAR; SOIL POLLUTANTS; TEMPERATURE; TETRACHLORODIBENZODIOXIN;

EID: 0036121034     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(01)00250-8     Document Type: Article

References (17)

1. Profile and pattern of monchloro-through octachlorodibenzodioxins and dibenzofurans in chimney deposits from wood burning
2. Influence of combustion parameters on the formation of polychlorinated dibenzo-p-dioxins, dibenzofurans, benzenes and biphenyls and polyaromatic hydrocarbons in a polit incinerator
3. Influence of postcombustion temperature profiles on the formation of PCDDs, PCDFs, PCBzs in a pilot incinerator
4. On the mechanisms of dioxin formation in combustion processes
5. Thermodynamic functions of dibenzo-p-dioxin and its polychlorinated derivatives in the gaseous and condensed phases
6. Levels and congener patterns of polychlorinated dibenzo-p-dioxins and dibenzofurans in solid residues from wood-fired boilers
7. Prediction for thermodynamic function of dioxins for gas phase using semi-empirical molecular orbital method with PM3 Hamiltonian
8. Deduction of a typical pattern for the isomers of tetra- to heptachlorodibenzo-p-dioxins and -furans formed in combustion processes
9. Evaluation of polychlorinated dibenzo-p-dioxin/dibenzofuran (PCDD/F) emission in municipal solid waste incinerators
10. Thermodynamic conditions for the formation of dioxin
11. Thermodynamic Modelling of PCDD/Fs Formation in Thermal Processes
12. An evaluation of the heat of formation of chlorinated dioxins and its application to isomer abundance predictions
13. Thermodynamic data for dioxins from molecular modelling computations: Prediction of equilibrium isomer composition
14. Patterns of isomers of chlorinated dibenzo-p-dioxins as tool for elucidation of thermal formation mechanisms
15. Thermodynamic study on the isomer composition of tetrachlorinated dibenzo-p-dioxins formed in combustion processes