2001 Fiscal Year Final Research Report Summary
Modeling of PCDDs/DFs Formation During Municipal Solid Waste Incineration Processes
| Project/Area Number |
12650216
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Thermal engineering
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| Research Institution | Ritsumeikan University |
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Principal Investigator |
YOSHIHARA Yoshinobu Ritsumeikan Univ., Fac. Science and Engineering, Professor, 理工学部, 教授 (30174999)
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| Co-Investigator(Kenkyū-buntansha) |
ISHIZU Junichi KANEKA CORPORATION, PVC & Chemicals Division, Assistant Manager, 化学事業部, 主任
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| Project Period (FY) |
2000 – 2001
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| Keywords | Waste Processing / Dioxins / Solid Waste Incinerator / Modeling / Gibbs Function / Thermal Equilibrium |
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| Research Abstract |
In this study, thermo-chemical properties such as enthalpy, entropy and Gibb's free energies of PCDDs/DFs have been calculated based on ab initio quantum chemistry using B3LYP/6-311 + G(2d,p)// B3LYP/6-31G(d) basis set and CBS-4M. Results show that B3LYP/6-311 + G(2d,p)// B3LYP/6-31 G(d) basis set gives more accurate value than CBS-4M for the halogenide. Using the computed thermo-chemical properties of PCDDs/DFs, the governing mechanisms of dioxin generation have been discussed based on multi-phase chemical equilibrium in regard to a multi-element system. The result well explains the characteristic of PCDDs/DFs emission in municipal solid waste incinerator. It is also pointed out that he temperature dependence of predicted congener patterns for PCDDs/DFs well coincide with those of experiments.
Furthermore, the model for de novo synthesis of PCDDs/DFs on the fly ash surface proposed by Hang et al. has been compared with the experimental results obtained by using the electrically heated flow reactor. It is revealed that the employed model well predicts the amount of PCDDs/DFs generation if the fly ash contains relatively small amount of Cu around 0.05 wt%. On the other hand, it is noted that several percent of Cu contained in fly ash strongly promoted de novo synthesis of PCDDs/DFs. This suggests that the modeling of PCDDs/DFs emission form the incineration of Cu rich waste such as shredder dust has to take Cu effect into account.
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