On the predictability of chemical kinetics for the description of the combustion of simple fuels

Orbegoso, Elder Mendoza; Silva, Luı́s Fernando Figueira da; Novgorodcev, André Reinaldo

doi:10.1590/s1678-58782011000400013

Cited by 13 publications

(16 citation statements)

References 70 publications

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“…The oxygen concentrations of AIH, Al 0 , and iodic acid are all accounted for when calculating OB, and in general, there is a parabolic relationship between OB and flame speed. 18 Figure 8b shows an almost linear relation between OB and flame speed (R 2 = 0.92) for a range of ER. Figure 8c shows flame speed, OB, AIH, HIO 3 , and HI 3 O 8 concentration as a function of ER between an ER of 0.8 and 1.1.…”

Section: ■ Results and Discussionmentioning

confidence: 90%

“…Figure a shows flame speed, oxygen balance, and AIH concentration as a function of ER (between an ER of 0.8 and 1.5). The oxygen concentrations of AIH, Al 0 , and iodic acid are all accounted for when calculating OB, and in general, there is a parabolic relationship between OB and flame speed Figure b shows an almost linear relation between OB and flame speed ( R 2 = 0.92) for a range of ER.…”

Section: Resultsmentioning

confidence: 99%

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Replacing the Al₂O₃ Shell on Al Particles with an Oxidizing Salt, Aluminum Iodate Hexahydrate. Part I: Reactivity

Smith¹,

Unruh²,

et al. 2017

J. Phys. Chem. C

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Improvements in the reactivity, measured in terms of flame speed, for aluminum-based energetic mixtures are increased by a factor of 2–3 by replacing the Al2O3 passivation layer of aluminum (Al) nanoparticles with aluminum iodate hexahydrate (AIH), an oxidizing salt. The Al–AIH nanoparticles are examined under transmission electron microscopy. An AIH passivation shell surrounding the Al core particle is a more reactive composite structure than Al2O3 passivation around Al which facilitates increased reaction rates with flame speeds as high as 3200 m/s. Flame speed measurements are used to show that reaction rates in AIH mixtures are determined by the AIH/Al2O3 ratio, oxygen balance, and β-HIO3. Further optimization of these properties will ultimately boost significant increases in the reaction rates of the energetic materials presented in this article.

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Section: ■ Results and Discussionmentioning

confidence: 90%

Section: Resultsmentioning

confidence: 99%

Replacing the Al₂O₃ Shell on Al Particles with an Oxidizing Salt, Aluminum Iodate Hexahydrate. Part I: Reactivity

Smith¹,

Unruh²,

et al. 2017

J. Phys. Chem. C

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“…Subsequently, for CO 2 diluted fuel mixtures the GRI 3.0 is considered for methane, and San Diego Mech for propane. These mechanisms are chosen as representative of the combustion chemical kinetics of these different fuels [13,11]. For the sake of simplicity a pressure of 1 bar and an unburned gases temperature of 300 K are considered, only.…”

Section: Resultsmentioning

confidence: 99%

Premixed flame heat release-based optimum global single-step chemistry for H$$_2$$, CH$$_4$$, and C$$_3$$H$$_8$$ mixtures with air

Vieira

Silva

2022

J Braz. Soc. Mech. Sci. Eng.

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Despite the significant development of comprehensive detailed chemical kinetics mechanisms for combustion simulation in the past decades, reduced descriptions of the chemical process still enable engineering and direct numerical simulations. This work proposes a new formulation for the heat release rate of laminar premixed flame which extends the classical one-step Arrhenius global kinetics using a kinetically controlled assumption for the scalar governing the final reaction steps. The proposed methodology considers that the heat release rate as a function of temperature is known and obtained via a freely propagating laminar premixed flame model together with various detailed chemical kinetics mechanisms. The resulting formulation involves three free parameters, one of which is the Zel'dovich number, whereas the new ones characterize the final heat release stages. The proposed formulation is characterized for H 2 , CH 4 and C 3 H 8 mixtures with air and compared to several detailed chemical mechanisms, exhibiting errors between 6 % and 15 % for the first of these and smaller than 6 % for the hydrocarbons. The three free parameters are determined for a range of equivalence ratios and seem to be mixture properties. In particular, the Zel'dovich number exhibits a minimum around stoichiometry. The hydrocarbons fuels are also characterized when diluted by CO 2 , which is motivated by its presence in Brazilian pre-salt oil wells. The new free parameters are not influenced by dilution, whereas the Zel'dovich number is found to increase.

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“…These models may include a detailed kinetic mechanism for the description of physicochemical phenomena involved [28,6,22,35]. Typically, such reaction mechanisms for mixtures of hydrocarbons with air involve tenths of species, hundreds of elementary reactions, and timescales that vary up to nine orders of magnitude [36,20,21].…”

Section: Introductionmentioning

confidence: 99%

Assessment of a transient homogeneous reactor through in situ adaptive tabulation

Cunha¹,

Silva²

2013

J Braz. Soc. Mech. Sci. Eng.

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HAL is a multidisciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés.

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On the predictability of chemical kinetics for the description of the combustion of simple fuels

Cited by 13 publications

References 70 publications

Replacing the Al₂O₃ Shell on Al Particles with an Oxidizing Salt, Aluminum Iodate Hexahydrate. Part I: Reactivity

Replacing the Al₂O₃ Shell on Al Particles with an Oxidizing Salt, Aluminum Iodate Hexahydrate. Part I: Reactivity

Premixed flame heat release-based optimum global single-step chemistry for H$$_2$$, CH$$_4$$, and C$$_3$$H$$_8$$ mixtures with air

Assessment of a transient homogeneous reactor through in situ adaptive tabulation

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On the predictability of chemical kinetics for the description of the combustion of simple fuels

Cited by 13 publications

References 70 publications

Replacing the Al2O3 Shell on Al Particles with an Oxidizing Salt, Aluminum Iodate Hexahydrate. Part I: Reactivity

Replacing the Al2O3 Shell on Al Particles with an Oxidizing Salt, Aluminum Iodate Hexahydrate. Part I: Reactivity

Premixed flame heat release-based optimum global single-step chemistry for H$$_2$$, CH$$_4$$, and C$$_3$$H$$_8$$ mixtures with air

Assessment of a transient homogeneous reactor through in situ adaptive tabulation

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Product

Resources

About

Replacing the Al₂O₃ Shell on Al Particles with an Oxidizing Salt, Aluminum Iodate Hexahydrate. Part I: Reactivity

Replacing the Al₂O₃ Shell on Al Particles with an Oxidizing Salt, Aluminum Iodate Hexahydrate. Part I: Reactivity