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An estimation of modelling parameters for condensed multi-component fuels

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TLDR
A case study to evaluate the thermo-physical properties and chemical kinetics parameters, which are employed to model the gas-phase combustion taking place over the surface of a condensed fuel, has been presented in this paper.
Abstract
A case study to evaluate the thermo-physical properties and chemical kinetics parameters, which are employed to model the gas-phase combustion taking place over the surface of a condensed fuel, has been presented. This procedure relies on accurate experimental measurements of gaseous pyrolysis products. The pyrolysis gases can be treated as a virtual fuel, namely CxHyOz, where x, y, and z are estimated by performing atom balances for C, H, and O atoms in all the pyrolysis species. Thermo-physical properties of this virtual fuel are calculated based on the temperature and species concentration of the pyrolysis mixture. Similarly, based on the rate constant values of the reactant species present in the pyrolysis mixture, Arrhenius parameters such as pre-exponential factor and activation energy have been calculated. Polymethylmethacrylate (PMMA) is used as an example fuel in this study, and a step-by-step procedure for the estimation of the thermo-physical properties and global reaction kinetics parameters o...

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References
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Book

The Properties of Gases and Liquids

TL;DR: In this article, the authors estimate physical properties of pure components and Mixtures and show that the properties of these components and mixtures are similar to those of ideal gases and liquids.
Journal ArticleDOI

Simplified Reaction Mechanisms for the Oxidation of Hydrocarbon Fuels in Flames

TL;DR: In this paper, simplified reaction mechanisms for the oxidation of hydrocarbon fuels have been examined using a numerical laminar flame model, and a simple procedure to determine the best values for the reaction rate parameters is demonstrated.

Coefficients for calculating thermodynamic and transport properties of individual species

TL;DR: In this article, a library of thermodynamic data and transport properties are given for individual species in the form of least-squares coefficients for 1130 solid, liquid, and gaseous species.
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