Spelling suggestions: "subject:"volatilization""
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Modeling and simulation of linear thermoplastic thermal degradationBruns, Morgan Chase 13 July 2012 (has links)
Thermal degradation of linear thermoplastics is modeled at several scales. High-density polyethylene (HDPE) is chosen as an example material. The relevant experimental data is surveyed. At the molecular scale, pyrolysis chemistry is studied with reactive molecular dynamics. Optimization is used to calibrate several pyrolysis mechanisms with thermogravimetric analysis (TGA) data. It is shown that molecular scale physics may be coupled to continuum scale transport equations through a population balance equation (PBE). A PBE solution method is presented and tested. This method has the advantage of preserving detailed information for the small species in the molecular weight distribution with minimal computational expense. The mass transport of these small species is modeled at the continuum scale with a bubble loss mechanism. This mechanism includes bubble nucleation, growth, and migration to the surface of the condensed phase. The bubble loss mechanism is combined with a random scission model of pyrolysis to predict TGA data for HDPE. The modeling techniques developed at these three scales are used to model two applications of engineering interest with a combined pyrolysis and devolatilization PBE. The model assumes a chemically consistent form of the random scission pyrolysis mechanism and an average, parameterized form of the bubble loss mechanism. This model is used to predict the piloted ignition of HDPE. Predictions of the ignition times are reasonable but the model over predicts the ignition temperature. This discrepancy between model and data is attributed to surface oxidation reactions. The second application is the prediction of differential scanning calorimetry (DSC) data for HDPE. The model provides detailed information on the energy absorption of the thermally degrading sample, but the literature data is too variable to validate the model. / text
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Coal Pyrolysis Models for Use in Massively Parallel Oxyfuel-Fired Boiler SimulationsRichards, Andrew Perry 31 March 2021 (has links)
Accurately modeling key aspects of coal combustion allows for the virtual testing and application of new technologies and processes without the need for investments in lab- and pilot-scale facilities, since such facilities may only be used for a few small tests. However, modeling of subprocesses must not only be accurate but computationally efficient. Modeling of coal devolatilization reactions and processes are one of the important parts of large-scale simulations of coal combustion systems. The work presented here details efforts to improve the modeling of coal devolatilization processes in massively-parallel simulations of coal combustors, including: (1) devolatilization rate/yield models, (2) modeling various chemical, physical, and thermodynamic properties of coal, char, and tar (including structural NMR parameters like carbon aromaticity, the elemental composition of coal char and tar, and the heating value of coal-based and other fuels), and (3) the application of various simplifying assumptions to equilibrium calculations of coal devolatilization products using multiple levels of fuel mixture fractions. Using several different advanced statistical methods, the models discussed here were developed and improved by careful comparison with large sets of experimental data. The advanced statistical methods and procedures show large improvements in these models over previous work.
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Volatiles in basaltic magmas from central Mexico: From subduction to eruptionJohnson, Emily Renee 06 1900 (has links)
xvi, 167 p. ; ill. (some col.) A print copy of this thesis is available through the UO Libraries. Search the library catalog for the location and call number. / Volatiles, particularly H 2 O, play an important role in subduction zone magmatism, from instigating melting of the mantle wedge to influencing the explosivity of eruptions at the surface. To better understand both small-scale eruptive processes and large-scale melt generation processes, concentrations of H 2 O, CO 2 , Cl and S were measured in olivine-hosted melt inclusions from nine monogenetic volcanoes across the Michoacan-Guanajuato Volcanic Field (MGVF) in central Mexico.
Melt inclusions, tiny blebs of melt trapped within crystals during growth, record pre-eruptive melt compositions and dissolved volatile contents. Analyses of olivine-hosted melt inclusions from the long-lived (15 years) eruption of Volcan Jorullo illustrate the complexities of cinder cone eruptions. The later-erupted melt inclusions record decreases in crystallization depths, increases in magma storage time, and shallow assimilation of granitic bedrock, suggesting significant evolution of the magma plumbing system over time.
Because melt inclusions are trapped at variable depths during magma crystallization, they record progressive degassing of melts during ascent and eruption. Degassing of basaltic melts is variable due to differences in solubility of the volatile components. Estimated volatile solubilities based on variations in melt inclusion data for the MGVF suggest that Cl and S have high solubility, with little to no degassing of these species during ascent and eruption, whereas H 2 O and CO 2 show evidence of substantial degassing. Furthermore, increases in concentrations of incompatible elements in melt inclusions correlate with extents of degassing, suggesting that degassing during ascent drives melt crystallization in many cinder cone eruptions.
The volatile contents of mafic arc magmas as revealed by melt inclusions reflect the influx of H 2 O-rich components from the subducted slab to the mantle wedge. Across-arc patterns in volatile and incompatible trace element concentrations for MGVF magmas show that the flux of H 2 O-rich subduction components remains high for large distances across the arc. These data, combined with oxygen isotope analyses of olivine phenocrysts and 2-D thermo-mechanical models of the subduction zone, suggest a complex origin for the H 2 O-rich subduction components, involving dehydration of subducted sediment and storage of volatiles in hydrous minerals in the mantle wedge.
This dissertation includes co-authored materials both previously published and submitted for publication. / Adviser: Paul J. Wallace
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Simulations of Controlled Fires Using the One-Dimensional Turbulence Model with Application to Fire Spread in Wildland FiresMonson, Elizabeth Ida 09 April 2012 (has links) (PDF)
The mechanism of flame propagation in fuel beds of wildland fires is important to understand and quantify fire spread rates. Fires spread by radiative and convective heating and often require direct flame contact to achieve ignition. The flame interface in an advancing fire is unsteady and turbulent, making study of intermittent flames in complex fuels difficult. This thesis applies the one-dimensional turbulence (ODT) model to a study of flame propagation by simulating a lab-scale fire representative of the flame interface in a fuel bed and incorporating solid fuel particles into the ODT code. The ODT model is able to resolve individual flames (a unique property of this model) and provide realistic turbulent statistics. ODT solves diffusion-reaction equations on a line-of-sight that is advanced either in time or in one spatial direction (perpendicular to the line-of-sight). Turbulent advection is modeled through stochastic domain mapping processes. A vertical wall fire, in which ethylene fuel is slowly fed through a porous ceramic, is modeled to investigate an unsteady turbulent flame front in a controlled environment. Simulations of this configuration are performed using a spatial formulation of the ODT model, where the ODT line is perpendicular to the wall and is advanced up the wall. Simulations include radiation and soot effects and are compared to experimental temperature data taken over a range of fuel flow rates. Flame structure, velocities, and temperature statistics are reported. The ODT model is shown to capture the evolution of the flame and describe the intermittent properties at the flame edge, though temperature fluctuations are somewhat over predicted. A solid particle devolatilization model was included in the ODT code to study the convective heating of unburnt solid fuels through direct flame contact. Here the particles are treated as sweet gum hardwood and a single-reaction, first order decomposition model is used to simulate the devolatilization rates. Only preliminary results were presented for a simple case, but this extension of the ODT model presents new opportunities for future research.
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Bio-coal as an alternative reducing agent in the blast furnaceEl-Tawil, Asmaa January 2020 (has links)
The steel industry is aiming to reduce CO2 emissions by different means; in the short-term, by replacing fossil coal with highly reactive carbonaceous material like bio-coal (pretreated biomass) and, in the longer term, by using hydrogen. The use of bio-coal as part of top charged briquettes also containing iron oxide has the potential to lower the thermal reserve zone temperature of the Blast furnace (BF) and, due to improved gas efficiency, thereby give a high replacement ratio to coke. In order to select a suitable bio-coal to be contained in agglomerates with iron oxide, the current study aims at investigating the devolatilization behavior and related kinetics of different types of bio-coals. In addition, the aim is to investigate the self-reduction behavior of bio-coal-containing iron ore composite under inert condition and simulated blast furnace thermal profile. In the BF the temperature of the top-charged material will increase rather quickly during the descent in the upper part. Ideally, all the carbon and hydrogen contained in the top-charged bio-coal should contribute to the reduction. The devolatilization of bio-coal is thus important to understand and to compare between different types of bio-coal. To explore the devolatilization behavior for different materials, a thermogravimetric analyzer equipped with a quadrupole mass spectrometer was used to monitor the weight loss and off-gases during non-isothermal tests for bio-coals having different contents of volatile matter. The samples were heated in an inert atmosphere up to 1200°C at three different heating rates: 5, 10 and 15°C/min. The thermogravimetric data were evaluated by using the Kissinger–Akahira–Sonuse (KAS) iso-conversational model and the activation energy was determined as a function of the conversion degree. Bio-coals with both low and high content of volatile matter can produce reducing gases that can contribute to the reduction of iron oxide in bio-agglomerates. Bio-coals containing a higher content of catalyzing components such as CaO and K2O will enhance the devolatilization and release of volatile matter at a lower temperature. The self–reduction of composites was investigated by thermogravimetric analyses in argon atmosphere up to 1100°C and evolved gases were monitored by means of quadrupole mass spectroscopy. Composites with and without 10% bio-coal and sufficient coke breeze to keep the C/O molar ratio equal to one were mixed and Portland cement was used as a binder. To explore the effect of added bio-coals, interrupted vertical tube furnace tests were conducted in a nitrogen atmosphere at temperatures selected based on thermogravimetric results, using a similar thermal profile as for the thermogravimetric analyzer. The variation between fixed carbon, volatile matter contents and ash composition for different types of bio-coal influences the reduction of iron oxide. The results showed that the self-reduction proceeds more rapidly in the bio-coal-containing composite and that the volatile matter could have contributed to the reduction. The self-reduction of bio-coal-containing composites started at 500°C, while it started at 740°C with coke as the only carbon source. The hematite was successfully reduced to metallic iron at 850°C with bio-coal present as a reducing agent, but not until 1100°C when using coke. Use of bio-coal with high content of volatile matter but low content of catalyzing elements as potassium, sodium and calcium in bio-agglomerates for the BF can be recommended because it enhances the self-reduction of iron oxide, e.g., wustite was detected by XRD analysis in samples treated up to 680°C. Bio-coal with low content of volatile matter, low alkalis, low phosphorous and high content of fixed carbon will also be suitable to use in the BF.
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Computational Investigations of Polymer Sheet Breakup for Optimization of Devolatilization Processes in Steam ContactorsShindle, Bradley W. January 2017 (has links)
No description available.
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Metal mobility during metamorphism and formation of orogenic gold deposits: Insights from the Dalradian of ScotlandEngström, Adam January 2013 (has links)
Orogenic gold deposits occur within metamorphic belts throughout the world and have through time represented the source for over 25% of the world’s gold production. Although orogenic gold deposits are of great economic importance, controversies exist on the subject of fluid and metal sources and there have been few studies of gold´s distribution and mobility outside of large economic deposits. Research made by Pitcairn et al. (2006), on the Mesozoic Otago and Alpine schists of New Zealand, observed systematic depletion of Au and a suite of 6 associated elements with increasing metamorphic grade. This depletion was identical to the suite of elements enriched in the Otago gold deposits and provided strong evidence that orogenic gold deposits form due to metamorphic processes. The mobilization of metals was attributed to the recrystallization of sulfide minerals during prograde metamorphism causing dehydration and release of metal-rich metamorphic fluids. This thesis is part of a larger project aimed at testing the “Otago model” in a classic metamorphic terrain: The Dalradian metamorphic belt of Scotland. Rocks in the study are from the southern higlands group and the Appin and Argyll group which range in metamorphic grade from chlorite zone greenschist facies to sillimanite zone amphibolite facies. Three main aspects, which supplement earlier research, are addressed in this study: 1) Investigation of the sulfide paragenesis at Loch Lomond and Stonehaven was carried out to map the evolution of sulfides with metamorphic grade and the possible relations to the distribution of gold. Using SEM scanning to quantify the abundance of different sulfide minerals together with previous data on the Glen Esk region, a complex sulfide evolution pattern for the Dalradian Supergroup is identified. The sulfide evolution describes the same changes in texture and chemistry as observed in the Otago Schists but is made complex by the difference in geological evolution for the different regions. 2) Reinvestigation of the higher grade zones of Glen Esk (staurolite to sillimanite) was carried out as samples from the previous study were very weathered. Results from ultralow detection limit methods (HG-AFS and a gold detection method developed by Pitcairn et al. 2006) showed significant systematic depletion of Au and As with metamorphic grade. From chlorite to sillimanite zone average values of Au and As were showed to decrease by 65% and 88% respectively. Furthermore, a suite of 10 major and 12 trace elements were analyzed using ICP methods showing no trends of systematic depletion with increased metamorphic grade. 3) Investigation of Pb-Ag Veining and vein samples from each of the metamorphic index mineral zones in the Glen Esk area was carried out to identify fluid composition and ore mineralogy. Using microthermometry and Raman laser spectroscopy two distinct fluids were identified. The first type is a H2O-CO2-N2-salt fluid of low salinity (0-15 weight percent NaCl equivalent) and medium temperature (150 to 250 °C) locally containing minor amounts of CH4. It is found in the veins from the mineral index zones of Glen Esk and was formed in the ductile regime most likely related to late stage metamorphic devolatilization released during Caledonian uplift of the Dalradian. Pb-Ag veins from the locality of Hardhill host the second fluid type which was formed in the brittle regime accompanied by brecciation as a high salinity (15 to 20 weight percent NaCl equivalent) low temperature (70-140°C) H2O-salt fluid with calcic composition was precipitated. This fluid bears much resemblance to Carboniferous calcic brines responsible for economic base-metal precipitation with widespread occurrence in southwest Scotland and Northern Ireland. Results of this thesis show many similarities with the Otago study, with a connection between metal mobility and metamorphic grade, providing support for the dehydration model as a viable mechanism for the generation of orogenic gold deposits.
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Product evaluation and reaction modelling for the devolatilization of large coal particles / Barend Burgert HattinghHattingh, Barend Burgert January 2012 (has links)
A fundamental understanding of the process of devolatilization requires extensive knowledge of
not only the intrinsic properties of the parent coal and its subsequent formed products (tars,
gases and chars), but also its characteristic reaction rate behaviour. Devolatilization behaviour
has been extensively addressed in literature with the use of powdered coal samples, which
normally do not adhere to particle size constraints of coal conversion processes utilizing lump
coal. The aim of this investigation was therefore to assess the devolatilization behaviour (with
respect to product yield and -quality; and reaction rate modelling) of four typical South African
coals (UMZ, INY, G#5 and TSH) confined to the large particle regime. All four coals were found
to be bituminous in rank, with vitrinite contents ranging between 24.4 vol.% and 69.2 vol.%
(mineral matter free basis). Two were inertinite-rich coals (UMZ and INY) and the other two
were vitrinite-rich coals (G#5 and TSH). From thermoplasticity measurements it was evident that
only coal TSH displayed extensive thermoplastic behaviour, while a comparison between
molecular properties confirmed the higher abundance of poly-condensed aromatic structures
(aromaticity of 81%) present in this coal.
Product evolution was evaluated under atmospheric conditions in a self-constructed, large
particle, fixed-bed reactor, on two particle sizes (5 mm and 20 mm) at two isothermal reactor
temperatures (450°C and 750°C) using a combination of both GC and MS techniques for gas
species measurement, while standard gravimetric methods were used to quantify tar- and char
yield respectively. Elucidation of tar- and char structural features involved the use of both
conventional- and advanced analytical techniques. From the results it could be concluded that
temperature was the dominating factor controlling product yield- and quality, with significant
increases in both volatile- and gas yield observed for an increase in temperature. Tar yields
ranged between 3.6 wt.% and 10.1 wt.% and increased in the order UMZ < INY < TSH < G#5,
with higher tar yields obtained for coal G#5, being ascribed to larger abundances of vitrinite and
liptinite present in this coal. For coal TSH, lower tar yields could mainly be attributed to the
higher aromaticity and extensive swelling nature of this coal. Evolved gases were found to be
mainly composed of H2, CH4, CO and CO2, low molecular weight olefins and paraffins; and
some C4 homologues. Advanced analytical techniques (NMR, SEC, GC-MS, XRD, etc.)
revealed the progressive increase of the aromatic nature of both tars and chars with increasing
temperature; as well as subsequent differences in tar composition between the different parent coals. In all cases, an increase in devolatilization temperature led to the evolution of larger
amounts of aromatic compounds such as alkyl-naphthalenes and PAHs, while significant
decreases in the amount of aliphatics and mixed compounds could be observed. From 13C
NMR, HRTEM and XRD carbon crystallite results it was clear that an increase in temperature
led to the formation of progressively larger, more aromatic and structurally orientated polycondensed
carbon structures.
Reaction rate studies involved the use of non-isothermal (5-40 K/min) and isothermal (350-
900°C) thermogravimetry of both powdered (-200 μm) and large particle samples (20 mm) in
order to assess intrinsic kinetics and large particle rate behaviour, respectively. Evaluation of
the intrinsic kinetic parameters of each coal involved the numerical regression of non-isothermal
rate data in MATLAB® 7.1.1 according to a pseudo-component modelling philosophy. Modelling
results indicated that the intrinsic devolatilization behaviour of each coal could be adequately
described by using a total number of eight pseudo-components, while reported activation
energies were found to range between 22.3 kJ/mol and 244.3 kJ/mol. Description of the rate of
large particle devolatilization involved the evaluation of a novel, comprehensive rate model
accounting for derived kinetics, heat and mass transport effects, as well as physical changes
due to particle swelling/shrinkage. Evaluation of the proposed model with the aid of the
COMSOL Multiphysics 4.3 simulation software provided a suitable fit to the experimental data of
all four coals, while simulation studies highlighted the relevant importance of not only the effect
of particle size, but also the importance of including terms affecting for heat losses due to
particle swelling/shrinkage, transport of volatile products through the porous char structure, heat
of reaction and heat of vaporization of water. / Thesis (PhD (Chemical Engineering))--North-West University, Potchefstroom Campus, 2013
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Product evaluation and reaction modelling for the devolatilization of large coal particles / Barend Burgert HattinghHattingh, Barend Burgert January 2012 (has links)
A fundamental understanding of the process of devolatilization requires extensive knowledge of
not only the intrinsic properties of the parent coal and its subsequent formed products (tars,
gases and chars), but also its characteristic reaction rate behaviour. Devolatilization behaviour
has been extensively addressed in literature with the use of powdered coal samples, which
normally do not adhere to particle size constraints of coal conversion processes utilizing lump
coal. The aim of this investigation was therefore to assess the devolatilization behaviour (with
respect to product yield and -quality; and reaction rate modelling) of four typical South African
coals (UMZ, INY, G#5 and TSH) confined to the large particle regime. All four coals were found
to be bituminous in rank, with vitrinite contents ranging between 24.4 vol.% and 69.2 vol.%
(mineral matter free basis). Two were inertinite-rich coals (UMZ and INY) and the other two
were vitrinite-rich coals (G#5 and TSH). From thermoplasticity measurements it was evident that
only coal TSH displayed extensive thermoplastic behaviour, while a comparison between
molecular properties confirmed the higher abundance of poly-condensed aromatic structures
(aromaticity of 81%) present in this coal.
Product evolution was evaluated under atmospheric conditions in a self-constructed, large
particle, fixed-bed reactor, on two particle sizes (5 mm and 20 mm) at two isothermal reactor
temperatures (450°C and 750°C) using a combination of both GC and MS techniques for gas
species measurement, while standard gravimetric methods were used to quantify tar- and char
yield respectively. Elucidation of tar- and char structural features involved the use of both
conventional- and advanced analytical techniques. From the results it could be concluded that
temperature was the dominating factor controlling product yield- and quality, with significant
increases in both volatile- and gas yield observed for an increase in temperature. Tar yields
ranged between 3.6 wt.% and 10.1 wt.% and increased in the order UMZ < INY < TSH < G#5,
with higher tar yields obtained for coal G#5, being ascribed to larger abundances of vitrinite and
liptinite present in this coal. For coal TSH, lower tar yields could mainly be attributed to the
higher aromaticity and extensive swelling nature of this coal. Evolved gases were found to be
mainly composed of H2, CH4, CO and CO2, low molecular weight olefins and paraffins; and
some C4 homologues. Advanced analytical techniques (NMR, SEC, GC-MS, XRD, etc.)
revealed the progressive increase of the aromatic nature of both tars and chars with increasing
temperature; as well as subsequent differences in tar composition between the different parent coals. In all cases, an increase in devolatilization temperature led to the evolution of larger
amounts of aromatic compounds such as alkyl-naphthalenes and PAHs, while significant
decreases in the amount of aliphatics and mixed compounds could be observed. From 13C
NMR, HRTEM and XRD carbon crystallite results it was clear that an increase in temperature
led to the formation of progressively larger, more aromatic and structurally orientated polycondensed
carbon structures.
Reaction rate studies involved the use of non-isothermal (5-40 K/min) and isothermal (350-
900°C) thermogravimetry of both powdered (-200 μm) and large particle samples (20 mm) in
order to assess intrinsic kinetics and large particle rate behaviour, respectively. Evaluation of
the intrinsic kinetic parameters of each coal involved the numerical regression of non-isothermal
rate data in MATLAB® 7.1.1 according to a pseudo-component modelling philosophy. Modelling
results indicated that the intrinsic devolatilization behaviour of each coal could be adequately
described by using a total number of eight pseudo-components, while reported activation
energies were found to range between 22.3 kJ/mol and 244.3 kJ/mol. Description of the rate of
large particle devolatilization involved the evaluation of a novel, comprehensive rate model
accounting for derived kinetics, heat and mass transport effects, as well as physical changes
due to particle swelling/shrinkage. Evaluation of the proposed model with the aid of the
COMSOL Multiphysics 4.3 simulation software provided a suitable fit to the experimental data of
all four coals, while simulation studies highlighted the relevant importance of not only the effect
of particle size, but also the importance of including terms affecting for heat losses due to
particle swelling/shrinkage, transport of volatile products through the porous char structure, heat
of reaction and heat of vaporization of water. / Thesis (PhD (Chemical Engineering))--North-West University, Potchefstroom Campus, 2013
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Études de bois traités par pyrolyse douce dans un réacteur semi-industriel pour une production de matériaux durable : comportement thermique, changements de propriétés et modélisation cinétique / Investigations of wood treated by mild pyrolysis in a semi-industrial reactor for sustainable material production : thermal behavior, property changes and kinetic modelingLin, Bo-Jhih 03 April 2019 (has links)
La pyrolyse douce est un procédé prometteur et largement utilisé, mené à une température de 200 à 300 °C dans une atmosphère inerte afin de produire des matériaux durables (bois traité thermiquement) ou des combustibles solides (bois torréfié). Le but de cette étude est d’étudier les bois traités thermiquement dans un réacteur à l’échelle semi-industrielle pour une production durable de matériaux. Deux essences de bois européennes différentes, une essence de feuillus (peuplier, Populus nigra) et une essence de résineux (sapin, Abies pectinata), sont utilisées pour réaliser les expériences. La présente recherche est divisée en trois parties. Dans la première partie, le comportement thermique des planches de bois est étudié dans un réacteur à l’échelle semi-industrielle. Les expériences sont effectuées à 200-230 °C avec une vitesse de chauffe de 0.2 °C min-1 dans un environnement sous vide (200 hPa) pour intensifier la dégradation thermique. Quatre étapes différentes de dégradation thermique lors du traitement thermique du bois sont définies, en fonction de l'intensité de la perte de masse différentielle (DML). Les caractéristiques de dévolatilisation du bois traité sont évaluées à l'aide de l'indice de dévolatilisation (ID) basé sur les résultats de l'analyse immédiate. La corrélation de l'ID par rapport à la perte de masse des deux essences de bois est fortement caractérisée par une distribution linéaire, ce qui permet de fournir un outil simple et utile pour prédire la perte de masse du bois. Dans la seconde partie de l’étude, plusieurs analyses (spectroscopie infrarouge à transformée de Fourier, diffraction des rayons X, mesure du changement de couleur, teneur en humidité à l’équilibre et angle de contact) ont été réalisées. Les résultats obtenus démontrent clairement la dégradation thermique lors des réactions de déshydratation, de désacétylation, de dépolymérisation et de condensation au cours du traitement thermique. Les phénomènes de changement de couleur et de transformation hygroscopique observés sont illustrés et discutés en détail. La décarbonisation (DC), la déshydrogénation (DH) et la désoxygénation (DO) des bois traités sont également évaluées. Il s'avère que les trois indices peuvent être bien corrélés à la variation de couleur totale et à l'étendue de la réduction de l'hygroscopicité (HRE). Dans la dernière partie de l'étude, une modélisation cinétique du traitement thermique du bois est développée sur la base d’un schéma cinétique en deux étapes. La cinétique obtenue permet de prédire avec succès le rendement en solide de planches de bois lors du traitement dans un réacteur à l’échelle semi-industrielle. Dans le même temps, une prévision de la composition élémentaire est proposée. Celle-ci est basée sur les analyses élémentaires (ultimes) du bois non traité et du bois traité, ainsi que sur les rendements instantanés en solides. Les résultats indiquent que la prédiction des profils C, H et O est en bon accord avec les changements de composition attendus dans le matériau au cours du traitement. En résumé, les résultats obtenus et la cinétique établie sont propices à l’identification des mécanismes de dégradation thermique du bois et peuvent être utilisés pour le traitement thermique et la conception de réacteurs dans l'industrie afin de produire des matériaux bois adaptés à diverses applications. / Mild pyrolysis is a promising and widely applied process conducted at 200-300 °C in an inert condition to produce sustainable materials (i.e. heat treated wood) or solid fuel (i.e. torrefied wood). The aim of this study is to investigate the woods heat treated in a semi-industrial scale reactor for sustainable material production. Two different European wood species, a hardwood species (poplar, Populus nigra) and a softwood species (fir, Abies pectinata), are used to perform the experiments. The present research is divided into three parts. In the first part, the thermal behavior of wood boards is studied in a semi-industrial scale reactor. The experiments are carried out at 200-230 °C with a heating rate of 0.2 °C min-1 in a vacuum condition (200 hPa) to intensify the thermal degradation. Four different stages of thermal degradation during wood heat treatment are defined based on the intensity of differential mass loss (DML). The devolatilization characteristics of treated woods are evaluated by the devolatilization index (DI) based on the results of proximate analysis. The correlation of DI with respect to mass loss of the two wood species is strongly characterized by linear distribution, which is able to provide a simple tool to predict the mass loss of wood. In the second part of the study, a number of analyses, such as Fourier-transform infrared spectroscopy, X-ray diffraction, measurement of color change, equilibrium moisture content, and contact angle) are performed to evaluate the property changes of treated woods. The obtained results clearly demonstrate the thermal degradation through dehydration, deacetylation, depolymerization, and condensation reactions during the heat treatment. The observed phenomena of color change and hygroscopic transformation are illustrated and discussed in detail. The decarbonization, dehydrogenation, and deoxygenation of the treated woods are also evaluated. It is found that the three indexes can be well correlated to the total color difference and hygroscopicity reduction extent (HRE). In the last part of the study, the kinetic modeling of wood heat treatment is developed based on a two-step kinetic scheme. The obtained kinetics successfully predict dynamic solid yield of wood boards during the treatment in the semi-industrial reactor. Meanwhile, the prediction of elemental composition is also performed by a direct method based on the elemental analyses of untreated and treated woods at the end of the treatment, as well as the instantaneous solid yield. The results point out that the prediction of C, H, and O profiles are in good agreement with expected composition changes in the wood materials during treatment. In summary, the obtained results and established kinetics are conducive to recognizing the mechanisms of wood thermal degradation and can be used for heat treatment process and reactor design in industry to produce wood materials for various applications.
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