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What Else Is Produced During The Combustion Of Propane C3h8
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Arts et Métiers Institute of Technology, University of Bordeaux, CNRS, Bordeaux INP, INRAE, I2M Bordeaux, 33400 Talence, France
Received: September 14, 2021 / Revised: November 3, 2021 / Accepted: November 5, 2021 / Published: November 10, 2021
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Numerical simulation of fire propagation requires the coupling between the pyrolysis of wood, which involves the production of various gas species, and the combustion of these species in the fire, which generates the energy that sustains the pyrolysis process. The experimental and numerical works of the fire community aim to improve the description of the pyrolysis process in order to better predict the production rate and the chemical nature of the pyrolysis gases. We know that the pyrolysis of wood produces various chemical species: water, methane, propane, carbon monoxide and dioxide, phenol, cresol, hydrogen, etc. To explore further ideas to take advantage of such developments. We have developed a numerical framework that precisely combines the physics of flame propagation, an accurate three-dimensional pyrolysis model, and FireFoam. In this paper, we demonstrate the capability of the simulation tool by treating the burning of a log. Wood is considered to be composed of three phases (cellulose, hemicellulose and lignin), each of which undergoes parallel degradation processes to produce methane and hydrogen. We chose to simplify the gas mixture for this first proof of concept of the coupling of a multispecies pyrolysis process in a flame. In the flame, we consider two separate rate-limiting combustion reactions of methane and hydrogen. The flame evolves during the simulation in the concentration of the two types of gas that arise from the materials. The inclusion of different types of pyrolysis seems to affect the flame temperature and behavior.
Friction materials (wood and composite materials) are widely used in many civil [1] and aeronautical [2] applications. On the one hand, this leads to sustainable development with lower energy requirements and less pollution, but on the other hand, this can lead to fire risks. These materials have a flammable nature that makes it necessary to predict a fire potential and the resulting loss of stiffness, strength and resistance of a structure [3]. In the last decades, several studies have tackled the subject and aimed to characterize the performance of carbonized materials during combustion. Fire resistance [4], flammability properties [5] and gas emissions [6] are some examples of the main properties that have been studied. The main strength of this fire community lies in the ability to describe how fire behaves for a certain material, including the description of fires, fire growth, propagation and extinguishing processes [7]. Several numerical simulation programs have been developed for this purpose. One of the most successful is fireFoam [8], an open source code for simulating and visualizing fire behavior in a defined geometry. Several application cases can be found in the literature [9, 10, 11].
In a numerical simulation, the flame modeling is not enough. The description of the degradation process of the material burned in the absence of oxygen (pyrolysis), as well as the coupling between the material and the environment, are the basic aspects that are covered. Pyrolysis produces a wide variety of chemical species: water, methane, propane, carbon monoxide and dioxide, phenol, cresol, hydrogen… The production and concentration of these species are strongly influenced by the established conditions [12, 13]. This would not only affect the material but also the combustion process. Gases, once produced, filter into the material and eventually escape to the outside world. Many of these species are flammable, so the correct prediction of their formation can change the result of the simulation. Various pyrolysis models have been developed over the years, each with a different degree of accuracy in describing the chemical reactions. The simplest is the single reaction mechanism [14], where only one decomposition reaction is considered. The next step is done with a single multi-component reaction model [15] where the description with respect to food becomes reasonable. Adding to the complexity is the competitive model [16], which incorporates competing reactions to predict different product distributions depending on conversion conditions, such as heating rate and pressure. Finally, there are competitive multi-component models [17, 18] that effectively represent the dependence of the raw material and the effect of temperature on the yield.
Pyrolysis is not the only modeling process in coal materials. The mass, momentum and energy of the material must be conserved, and the transport of gaseous species must also be considered. A generic combustion problem with an emitting material is shown schematically in Figure 1.
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The problem can be divided into two regions: the environment where the combustion takes place, and the material, characterized by a thermal degradation process, pyrolysis. Two different models are required for numerical resolution. We chose to pair FireFoam with a specific pyrolysis model. The latter is included in the classification of 3 types of models proposed by Lachaud et al., 2011 [19], and has already been applied in several applications, such as the ablative design of the heat shield and the pyrolysis of lignocellulosic biomass [ 20] , 21, 22].
The main objective of this work is to propose for the first time a numerical framework that combines an accurate three-dimensional pyrolysis model and FireFoam. The numerical framework is given in the following sections with the description of two numerical models: Section 2 presents the detailed pyrolysis model and Section 3 the combustion process. The coupling conditions between the two models are given in section 4. The capabilities of the solver are demonstrated in Section 5, where two different applications are considered. The first aims to show how the introduction of different types of pyrolysis affects the temperature and behavior of the flame. The second application is a 2D simulation of the burning of a log. Here we have chosen to simplify the gas mixture for this first proof of concept of the coupling of a multispecies pyrolysis process in a flame. The results show a perfect match between the two models and highlight the effect of the species, whose concentration changes with time, on the behavior of the fire. Finally, Section 6 draws conclusions.
The model to describe the material region is presented in this section. It consists of a generic pyrolysis model that allows the description of the interaction between different solid phases and a gas phase [22]. A summary of the governing equations for solid, gas, and species phases is presented in the following sections.
Gaseous elements/species). No liquid phase is modeled. Any liquid in the material (water) is modeled as a solid phase. The description is carried out on a macroscopic scale, where the governing equations can be derived from higher theories. Their derivation is based on the existence of a fundamental representative volume (REV) of the domain and the assumption of the separation of scales, as shown in Figure 2.
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Solid phases For example, the main components of wood cell walls are cellulose, hemicellulose and lignin, which are modeled as three phases. All solid phase
In the absence of oxygen it can be degraded according to different pyrolysis kinetics. Therefore, each phase is divided into i
Sub-phases to model different degradation mechanisms. A generic decomposition of a subphase j (of solid phase i) produces species.
Is the total number of gas species included in the gas mixture. Pyrolysis reactions are modeled according to Arrhenius laws. In this way, the progress of the pyrolysis reaction
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Arrhenius law activation energy, and Arrhenius law parameters m and n. Complete progress in the pyrolysis process,
Denote, respectively, the volume fraction of phase i, the specific density of phase i, and the mass fraction of the subphase.
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