Simulation of a Three-Stage Chlorocarbon Incinerator through the Use of a Detailed Reaction Mechanism: Chlorine to Hydrogen Mole Ratios below 0.15

Booty, Michael R.; Bozzelli, Joseph W.; Ho, Wenpin; Magee, Richard S.

doi:10.1021/es00012a025

Cited by 15 publications

(8 citation statements)

References 13 publications

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“…According to the model of Senior et al [135], the most abundant chlorine-containing product is HCl, however Cl radicals could reach significant concentrations, up to 5% of the total chlorine, where they could persist at temperatures as low as 250 C. Booty et al [139] have investigated the kinetics and species profiles in chlorohydrocarbon combustion at various fuel equivalence ratios. Under fuel-rich conditions they found that the total content of chlorine radical and molecular chlorine is substantially reduced, however, at the expense of a comparable increase in CO content.…”

Section: CLmentioning

confidence: 99%

Mechanisms for formation, chlorination, dechlorination and destruction of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs)

Altarawneh

Dlugogorski

Kennedy

et al. 2009

Progress in Energy and Combustion Science

445

279

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Section: CLmentioning

confidence: 99%

Mechanisms for formation, chlorination, dechlorination and destruction of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs)

Altarawneh

Dlugogorski

Kennedy

et al. 2009

Progress in Energy and Combustion Science

445

279

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“…It should be acknowledge that on-line measurements of all three chlorine species (HCl, Cl 2 , and Cl • ) is difficult, however, predicting gas-phase speciation on thermodynamic equilibrium alone will also provide considerable inaccuracies because equivalence ratio, reaction temperature, and kinetics also influence the speciation. Recent chemical kinetic studies on the chlorocombustion system ( − ) have developed and verified mechanisms outlining the elementary reaction steps of chlorine species, thus enabling its prediction in the post-flame region. In summary, chlorine that is released from a chlorine fuel is rapidly transformed to HCl via hydrogen abstraction reaction with the hydrocarbon fuel.…”

Section: Introductionmentioning

confidence: 99%

Importance of Chlorine Speciation on de Novo Formation of Polychlorinated Dibenzo-p-dioxins and Polychlorinated Dibenzofurans

Wikström

Ryan

Touati

et al. 2003

Environ. Sci. Technol.

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The role of chlorine speciation on de novo formation of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDDs/Fs) has been studied thoroughly in an entrained flow reactor during simulated waste combustion. The effects of gas-phase chlorine species such as chlorine (Cl2), hydrogen chloride (HCl), and chlorine radicals (Cl*), as well as ash-bound chlorine, on PCDD/F de novo formation were isolated for investigation. The ash-bound chlorine alone was observed to be a sufficient chlorine source for PCDD/F formation. The addition of HCl to the system did not influence the yields of the PCDDs/Fs nor the degree of chlorination due to its poor chlorinating ability. Addition of 200 ppm of Cl2 to the ash-feed system resulted in increased PCDD/F yields, especially for the octa- and hepta-chlorinated congeners. Altering the reaction temperature to enable the presence of only Cl2 to the system did not change the yields of PCDD/F compared to those when both Cl2/Cl* were present. However, comparison between ash-bound and gas-phase chlorine, the latter at a concentration typical of a realistic combustion process, revealed ash-bound chlorine to be the more important chlorine source for de novo formation of PCDD/F in a full-scale incinerator.

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“…The major stable products will be CH 4 , C ZH 4 , C 3H 6 and H 2 • The major radical in the system can be shown to be allyl at a concentration of about 10-5 M at 1300 K, and it can be assumed that hydrogen atoms are in equilibrium with allyl and propylene: (5) It can be estimated from the relevant thermochemistry that at 1300 K, [H] -IO-BM. Finally, assuming that only the displacement reaction of CI by H is important: "H + ArCl;:: [Ar(H)Cl] ..... ArH + "Cl (6) This analysis provides estimates of A-factor of 10 9 . 2 , an activation energy of about 6 cal/mole, and a value of k 2 -IO B .…”

Section: Comparison Between Reaction Kinetics In Batch and Continuousmentioning

confidence: 99%

Thermal Destruction of Chlorinated Hydrocarbons by Reductive Pyrolysis∗

Ravindran

Pirbazari

Benson

et al. 1997

Combustion Science and Technology

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A rigorous thesmochemical analysis of the pyrolysis of aromatic chlorides shows that destruction efficiencies in excess of 99.999 percent are possible in a reducing atmosphere at temperatures near 1000 K. This process used for the destruction of chlorinated organic om pounds yields non-halogenated hydrocarbons and hydrochloric acid as reaction products. Qualitative batch experiments on chloromethane and polychlorinated biphenyls (PCBs) showed that such efficiencies could be obtained in residence times below 7 minutes at 1273 K. Qualitative continuous flow experiments demonstrated that these efficiencies are actually obtained in residence times less than 1.8 seconds for chloromethane and 4.4 seconds for the PCB mixture Arochlor 1254. A simple kinetic analysis shows that the Aroclor 1254 radicals are produced by the decomposition of hydrocarbon solvents [n-hexane and iso-octane) used to provide the reducing atmosphere. The difference in residence times between batch and continuous flow reactors is explained by temperature gradient effects in batch reactors and the associated heat flux limiting rate phenomenon due to endothermic reaction steps.

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Simulation of a Three-Stage Chlorocarbon Incinerator through the Use of a Detailed Reaction Mechanism: Chlorine to Hydrogen Mole Ratios below 0.15

Cited by 15 publications

References 13 publications

Mechanisms for formation, chlorination, dechlorination and destruction of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs)

Mechanisms for formation, chlorination, dechlorination and destruction of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs)

Importance of Chlorine Speciation on de Novo Formation of Polychlorinated Dibenzo-p-dioxins and Polychlorinated Dibenzofurans

Thermal Destruction of Chlorinated Hydrocarbons by Reductive Pyrolysis∗

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