Combustion Chemistry

doi:10.1007/978-1-4684-0186-8

Cited by 381 publications

(2 citation statements)

References 65 publications

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“…Moreover, all the chemical species are considered as ideal and thermally perfect gases [10] for which the specific heats have been calculated using NASA's polynomial form [11]…”

Section: B Numerical Models 1 Governing Equationsmentioning

confidence: 99%

Scaling Parameters of Swirling Oxidizer Injection in Hybrid Rocket Motors

Paccagnella

Barato

Pavarin

et al. 2017

Journal of Propulsion and Power

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Hybrid rockets present some disadvantages, mainly low regression rate and combustion inefficiencies. A promising technology to solve both is swirling oxidizer injection, which enhances the wall heat flux and the mixing of the combustion reactants and thus increases the regression rate and the combustion efficiency. A numerical investigation is carried out with a commercial computational fluid dynamics code. This type of analysis can really help with the comprehension of the physical phenomena hidden behind the experimental measurement, and so it can be a powerful aid in the preliminary development and testing of hybrid motors. The first step of this numerical investigation is to study the initial motor geometry, increasing the complexity of the system with the addition of each component one by one to better understand which parameters influence the swirling flowfield inside the combustion chamber. Afterward, a comparison between the axial and swirl injection is done, analyzing the qualitative differences in the flowfields and the quantitative ones in the performance. The central and most important part of this numerical study is focused on the inspection of the motor performance related to several scaling parameters

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“…Moreover, all the chemical species are considered as ideal and thermally perfect gases [10] for which the specific heats have been calculated using NASA's polynomial form [11]…”

Section: B Numerical Models 1 Governing Equationsmentioning

confidence: 99%

Scaling Parameters of Swirling Oxidizer Injection in Hybrid Rocket Motors

Paccagnella

Barato

Pavarin

et al. 2017

Journal of Propulsion and Power

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“…3 Since then, scientists have developed and investigated the thermodynamic properties of both old and new materials in an effort to better comprehend their kinetics and behavior. [4][5][6][7][8][9][10] Burcat and Ruscic 11 employed G3/B3LYP in Gaussian03 calculations (known as G3B3) to compute the thermochemistry of materials. These outcomes were obtained via geometric optimization and utilization of a nonperiodic model.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic properties calculations of Cu‐based species

Yousuf,

Arshad,

Tian

2024

Int J of Chemical Kinetics

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This work focuses on the thermodynamic property calculations of seven copper‐based species, namely copper, copper oxide, copper hydroxide, copper nitrate, and copper hydroxide nitrate. The structures of these species were optimized to achieve stable geometries. The density functional theory (DFT) calculations were employed to obtain various thermodynamic properties such as entropy, enthalpy, Gibbs free energy, and heat capacity at constant pressure. A comparative investigation was performed on the temperature‐dependent behavior of key thermodynamic parameters. Species characterized by a higher quantity of atoms tend to demonstrate elevated thermodynamic properties. Copper and copper hydroxide nitrate had higher thermodynamic values than their oxides and other counterparts. It should be noted that the thermodynamic properties of copper hydroxide nitrate were newly computed, and the results showed that the thermodynamic values of the compound structure were higher than their crystalline counterparts. Moreover, due to the large structure size and solid phase, these thermodynamic values exhibited discrepancies with previously calculated computational and experimental values. The thermodynamic property values that depended on temperature were transformed into NASA 7‐Coefficient polynomials parameterization. The newly determined thermodynamic data and polynomials provide valuable insights into the thermodynamic behavior of copper‐based species. It will help better understand their surface sites and different crystalline structures. Such data can be used to better understand a variety of industrial processes, including combustion, gasification, chemical synthesis, and further to enhance efficiency, reduce costs, and minimize hazardous environmental emissions.

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Evaluation of the rate constants in chemical reactions

Tadi

Yetter

1998

Int. J. Chem. Kinet.

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This article is concerned with the application of a new method to recover the rate constants in chemical reactions. The method is based on treating the unknown parameters as time dependent. With appropriate experimental data the unknown rate constants are guided from an arbitrary initial condition to their true value at a final time. An explicit equation describing the time evolution of the parameters is obtained by minimizing the error along the trajectory. The method leads to an iterative algorithm which is described in detail. Numerical results with the method indicate that accurate estimates of the rate constants can be obtained directly from experimental data.

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Combustion Chemistry

Cited by 381 publications

References 65 publications

Scaling Parameters of Swirling Oxidizer Injection in Hybrid Rocket Motors

Scaling Parameters of Swirling Oxidizer Injection in Hybrid Rocket Motors

Thermodynamic properties calculations of Cu‐based species

Evaluation of the rate constants in chemical reactions

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