Stabilized three-stage oxidation of DME/air mixture in a micro flow reactor with a controlled temperature profile

Ignition and combustion characteristics of a stoichiometric dimethyl ether (DME)/air mixture in a micro flow reactor with a controlled temperature profile which was smoothly ramped from room temperature to ignition temperature were investigated. Special attention was paid to the multi-stage oxidation in low temperature condition.Normal stable flames in a mixture flow in the high velocity region, and non-stationary pulsating flames and/or repetitive extinction and ignition (FREI) in the medium velocity region were experimentally confirmed as expected from our previous study on a methane/air mixture. In addition, stable double weak flames were observed in the low velocity region for the present DME/air mixture case. It is the first observation of stable double flames by the present methodology. Gas sampling was conducted to obtain major species distributions in the flow reactor. The results indicated that existence of low-temperature oxidation was conjectured by the production of CH₂O occured in the upstream side of the experimental first luminous flame, while no chemiluminescence from it was seen.One-dimensional computation with detailed chemistry and transport was conducted. At low mixture velocities, three-stage oxidation was confirmed from profiles of the heat release rate and major chemical species, which was broadly in agreement with the experimental results.Since the present micro flow reactor with a controlled temperature profile successfully presented the multi-stage oxidations as spatially separated flames, it is shown that this flow reactor can be utilized as a methodology to separate sets of reactions, even for other practical fuels, at different temperature.     

Study on combustion and ignition characteristics of natural gas components in a micro flow reactor with a controlled temperature profile

Combustion and ignition characteristics of natural gas components such as methane, ethane, propane and n-butane were investigated experimentally and computationally using a micro flow reactor with a controlled temperature profile. Special attention was paid to weak flames which were observed in a low flow velocity region. The observed weak flame responses for the above fuels were successfully simulated by one-dimensional computations with a detailed kinetic model for natural gas. Since the position of the weak flame indicates the ignition characteristics as well as the reactivity of each fuel, the experimental and computational results were compared with research octane number (RON) which is a general index for ignition characteristics of ordinary fuels. At 1 atm, ethane showed the highest reactivity among these fuels, although RON of ethane (115) is between those of methane (120) and propane (112). Since the pressure conditions are different between the present experiment and the general RON test, weak flame responses to the pressure were investigated computationally for these fuels. The order of the fuel reactivity by the reactor agreed with that by RON test when the pressure was higher than 4 atm. Reaction path analysis was carried out to clarify the reasons of the highest reactivity of ethane at 1 atm among the employed fuels in this study. The analysis revealed that C₂H₅ + O₂ ⇔ C₂H₄ + HO₂ is a key reaction and promotes ethane oxidation at 1 atm. The effect of the pressure on the fuel oxidation process in the present reactor was also clarified by the analysis. In addition, weak flame responses to various mixing ratios of methane/n-butane blends were investigated experimentally and computationally. The results indicated a significant effect of n-butane addition in the blends on combustion and ignition characteristics of the blended fuels.     

Different chemical effect of hydrogen addition on soot formation in laminar coflow methane and ethylene diffusion flames

Previous studies showed that adding hydrogen (H₂) can have an opposite chemical effect on soot formation: its chemical effect enhances and suppresses soot formation in methane (CH₄) and ethylene (C₂H₄) diffusion flames, respectively. Such opposite chemical effect of H₂ (CE-H₂) remains unresolved. The different CE-H₂ is studied numerically in the two laminar coflow diffusion flames. A detailed chemical mechanism with the addition of a chemically inert virtual species FH₂ is used to model the gas-phase combustion chemistry in this study. Particularly, a reaction pathway analysis was performed based on the numerical results to gain insights into how H₂ addition to fuel affects the pathways leading to the formation of benzene (A₁) in CH₄ and C₂H₄ flames. The numerical results show that the CE-H₂ in CH₄ diffusion flame to prompt soot formation is ascribed that the higher mole fraction of H atom promotes the formation of A₁ and Acetylene (C₂H₂) and leads to higher nucleation rate and eventually higher soot surface growth rate. In contrast, adding H₂ to C₂H₄ diffusion flames decreases soot nucleation and surface growth rate. The lower soot nucleation rate is due to the lower mole fractions of pyrene (A₄), while the lower soot surface growth rate is due to the lower mole fractions of H atom and C₂H₂, higher mole fraction of H₂ and lower soot nucleation rate. Furthermore, the CE-H₂ in C₂H₄ diffusion flames promotes the formation of A₁, but suppresses the formation of A₄.     

Aromatic formation pathways in non-premixed methane flames

A kinetic mechanism, previously developed and successfully applied to the prediction of the formation of benzene and aromatics in different flame conditions, was applied to assess the importance of the various benzene and aromatic formation pathways in non-premixed flames. Four sets of data were tested: the methane flame and the same flame doped with toluene, ethylbenzene, and tert-butylbenzene, as studied by Anderson and co-workers. The model predicts, with good accuracy, the growth of hydrocarbons and the formation of benzene and aromatic species. The modeling shows that in the undoped methane flame, benzene formation is controlled by propargyl radical combination. Acetylene addition to C4 radicals contributes a moderate amount, whereas toluene decomposition is insignificant. The predictions are almost unaffected by the fulvene pathway. Benzene is strongly perturbed by dopant addition to methane. Predictions agree quite well with benzene concentrations in the undoped flame and agree with the increase in benzene concentration when alkylbenzenes are added. Key reactions leading to the formation of naphthalene are the propargyl addition to benzyl radicals, and, to a lesser extent, the hydrogen-abstraction acetylene-addition mechanism. Cyclopentadienyl radical combination, which is the dominant route in premixed and partially premixed flames, is insignificant in these flame conditions.     

Particle-bound PAH emissions from a waste glycerine-derived fuel blend in a typical automotive diesel engine

Polynuclear or polycyclic aromatic hydrocarbons (PAH) are known to be one of the most dangerous types of compounds of their class due to their carcinogenic potential. Some atmospheric PAH are measured and regulated to quantify the air quality. However, in order to better understand the presence of these compounds in the atmosphere it is crucial to study the PAH emissions sources. In this work, we analyze the particulate-bound PAH emissions, as well as their carcinogenic potential, from a typical baseline diesel engine using a promising alternative fuel obtained from the glycerol surplus in the biodiesel production industry. This advanced biofuel (Mo.bio) is a ternary mixture of residual glycerine-derived fuel (FAGE), a conventional fatty acid methyl ester (FAME) and a diesel fuel. Two operating conditions representative of the conflicting scenarios when studying polluting emissions (speeds of 50 km/h and 70 km/h typical of urban and extra-urban driving conditions) are used. In addition, with the purpose of deepening the understanding of the behavior of this new fuel, tests are carried out modifying the Exhaust Gas Recirculation (EGR) ratio. The PAH samples are collected before the aftertreatment systems in order to assess the possible formation of PAH with this type of fuel and to evaluate the options of the aftertreatment devices. Sampling is carried out using fiber-glass filters, extracting the trapped PAH using Soxhlet method. The analytical procedure (liquid chromatography with fluorescence detection) allows to appreciate differences between the different fuels and modes of operation, observing higher emissions of benzo[a]pyrene (BaP) and dibenz[a,h]anthracene (DahA) for the diesel fuel than for the mixture containing residual glycerine-derived fuel. Therefore, it is concluded that the fossil fuel has a larger carcinogenic potential in these conditions, and that the Mo.Bio fuel may possibly expand the EGR ratio range without increasing the requirement of the particle filter.     

A numerical study of the effects of CO2 and H2O on the ignition characteristics of syngas in a micro flow reactor

A deep understanding of the ignition characteristics of syngas in O₂/CO₂ and O₂/H₂O atmospheres is essential for the application of oxy-syngas combustion. In the present work, ignition properties of a syngas with a typical H₂-to-CO ratio (1:2) in O₂/N₂, O₂/CO₂ and O₂/H₂O atmospheres were investigated numerically. The ignition temperatures were determined by a 1-D model of a micro flow reactor with a controlled wall temperature profile, demonstrating that CO₂ and H₂O can lead to an increase in the ignition temperature compared to N₂, and the increase is more pronounced for the O₂/H₂O atmosphere. The analysis manifests that CO₂ and H₂O can suppress OH production at the region with relatively lower wall temperature by promoting R10: H + O₂(+M) = HO₂+(M) to compete with R11: H + HO₂ = 2OH for H radical. Moreover, the direct reaction effect (directly take part in reactions as reactants) and third-body effect of CO₂ and H₂O on ignition temperature were numerically isolated by adopting artificial species. The computation results reveal that the increase in ignition temperature mainly results from the enhanced reaction rate of R10 by the third-body effects of CO₂ and H₂O.     

Synergistic effect of mixing dimethyl ether with methane, ethane, propane, and ethylene fuels on polycyclic aromatic hydrocarbon and soot formation

Characteristics of polycyclic aromatic hydrocarbon (PAH) and soot formation in counterflow diffusion flames of methane, ethane, propane, and ethylene fuels mixed with dimethyl ether (DME) have been investigated. Planar laser-induced incandescence and fluorescence techniques were employed to measure relative soot volume fractions and PAH concentrations, respectively. Results showed that even though DME is known to be a clean fuel in terms of soot formation, DME mixture with ethylene fuel increases PAH and soot formation significantly as compared to the pure ethylene case, while the mixture of DME with methane, ethane, and propane decreases PAH and soot formation. Numerical calculations adopting a detailed kinetics showed that DME can be decomposed to produce a relatively large number of methyl radicals in the low-temperature region where PAH forms and grows; thus the mixture of DME with ethylene increases CH₃ radicals significantly in the PAH formation region. Considering that the increase in the concentration of O radicals is minimal in the PAH formation region with DME mixture, the enhancement of PAH and soot formation in the mixture flames of DME and ethylene can be explained based on the role of methyl radicals in PAH and soot formation. Methyl radicals can increase the concentration of propargyls, which could enhance incipient benzene ring formation through the propargyl recombination reaction and subsequent PAH growth. Thus, the result substantiates the importance of methyl radicals in PAH and soot formation, especially in the PAH formation region of diffusion flames.     

Fuel-rich methane oxidation in a high-pressure flow reactor studied by optical-fiber laser-induced fluorescence,multi-species sampling profile measurements and detailed kinetic simulations

A versatile flow-reactor design is presented that permits multi-species profile measurements under industrially relevant temperatures and pressures. The reactor combines a capillary sampling technique with a novel fiber-optic Laser-Induced Fluorescence (LIF) method. The gas sampling provides quantitative analysis of stable species by means of gas chromatography (i.e. _CH4${\mathrm{CH}}_4$, _O2,CO,_CO2${\mathrm{O}}_2\text{,}\mathrm{CO}\text{,}{\mathrm{CO}}_2$, _H2O,_H2${\mathrm{H}}_2\mathrm{O}\text{,}{\mathrm{H}}_2$, _C2${\mathrm{C}}_2$_H6${\mathrm{H}}_6$, _C2${\mathrm{C}}_2$_H4${\mathrm{H}}_4$), and the fiber-optic probe enables in situ detection of transient LIF-active species, demonstrated here for C_H2${\mathrm{H}}_2$O. A thorough analysis of the LIF correction terms for the temperature-dependent Boltzmann fraction and collisional quenching are presented. The laminar flow reactor is modeled by solving the two-dimensional Navier–Stokes equations in conjunction with a detailed kinetic mechanism. Experimental and simulated profiles are compared. The experimental profiles provide much needed data for the continued validation of the kinetic mechanism with respect to _C1${\mathrm{C}}_1$ and _C2${\mathrm{C}}_2$ chemistry; additionally, the results provide mechanistic insight into the reaction network of fuel-rich gas-phase methane oxidation, thus allowing optimization of the industrial process.     

The effect of flow direction in a novel bifunctional reactor producing formaldehyde,benzene, and hydrogen simultaneously

In the present study, the simultaneous production of formaldehyde and hydrogen is investigated in a thermally-coupled reactor. In the proposed reactor, production of formaldehyde as an exothermic reaction occurs in the tube side, while the dehydrogenation of cyclohexane (CH) which is an endothermic reaction takes place in the shell side. The endothermic reaction also acts as a heat absorber, which controls the temperature profile of the exothermic side. Based on flow direction, two possible arrangements, co-current and counter-current are considered and compared. The former shows better performance. Finally, the effect of important parameters on the performance of conventional and coupled reactor is examined.     

Performance assessment and optimization of a biomass-based solid oxide fuel cell and micro gas turbine system integrated with an organic Rankine cycle

Rice straw is a potential energy source for power generation. Here, a biomass-based combined heat and power plant integrating a downdraft gasifier, a solid oxide fuel cell, a micro gas turbine and an organic Rankine cycle is investigated. Energy, exergy, and economic analyses and multi-objective optimization of the proposed system are performed. A parametric analysis is carried out to understand the effects on system performance and cost of varying key parameters: current density, fuel utilization factor, operating pressure, pinch point temperature, recuperator effectiveness and compressors isentropic efficiency. The results show that current density plays the most important role in achieving a tradeoff between system exergy efficiency and cost rate. Also, it is observed that the highest exergy destruction occurs in the gasifier, so improving the performance of this component can considerably reduce the system irreversibility. At the optimum point, the system generates 329 kW of electricity and 56 kW of heating with an exergy efficiency of 35.1% and a cost rate of 10.2 $/h. The capability of this system for using Iran rice straw produced in one year is evaluated as a case study, and it is shown that the proposed system can generate 6660 GWh electrical energy and 1140 GWh thermal energy.     

Comparison of co-current and counter-current flow in a bifunctional reactor containing ammonia synthesis and 2-butanol dehydrogenation to MEK

In this study, a multi-tubular thermally coupled packed bed reactor in which simultaneous production of ammonia and methyl ethyl ketone (MEK) takes place is simulated. The simulation results are presented in two co-current and counter-current flow modes. Based on this new configuration, the released heat from the ammonia synthesis reaction as an extremely exothermic reaction in the inner tube is employed to supply the required heat for the endothermic 2-butanol dehydrogenation reaction in the outer tube. On the other hand, MEK and hydrogen are produced by the dehydrogenation reaction of 2-butanol in the endothermic side, and the produced hydrogen is used to supply a part of the ammonia synthesis feed in the exothermic side. Thus, 30.72% and 31.88% of the required hydrogen for the ammonia synthesis are provided by the dehydrogenation reaction in the co-current and counter-current configurations, respectively. Also, according to the thermal coupling, the required cooler and furnace for the ammonia synthesis and 2-butanol dehydrogenation conventional plants are eliminated, respectively. As a result, operational costs, energy consumption and furnace emissions are considerably decreased. Finally, a sensitivity analysis and optimization are applied to study the effect of the main process parameters variation on the system performance and obtain the minimum hydrogen make-up flow rate, respectively.     

Experimental and numerical study on heat transfer and flow characteristics in an alternating cross‐section flattened tube

An experimental and numerical study on convection heat transfer of water flowing through an alternating cross‐section flattened (ACF) tube are investigated in this paper. The thermal‐fluid characteristics were evaluated by numerical simulation. The test run conditions covered a mass flux of 200 to 800 kg m^?2 s^?1, a heat flux of 10 kW/m², and an inlet temperature of 40°C. The results showed that the Nusselt number increased with the increase in mass flux. Moreover, the heat transfer was also affected by the flow characteristics. Vortices were formed at the curved wall, and their intensities were increased along the flow direction. It was also found that the heat transfer and pressure drop were larger than that of the circular tube. However, the thermal performance was greater than the pressure loss penalty. The comparison results showed that the ACF tube had better performance than the circular tube. Further, the details of heat transfer, flow resistance, and fluid behavior were investigated and discussed in this study.     

Fluid dynamic optimization of grate boilers with scaled model flow experiments,CFD modeling,and measurements in practice

Grate boilers are often applied for solid biofuels with high ash and moisture content in typical applications from 0.5 MW to 25 MW, and often operated at part load for heating applications. The paper presents measures to optimize the fluid dynamics to improve the combustion and to extend the part load capability. Thereto, special interest is given to the secondary air injection described as jets in cross flow (JICF) and the momentum flux ratio MR. For the situation in channel cross flows, the effective momentum flux ratio MR_eff is introduced. Different air injections are investigated by computational fluid dynamics (CFD) and validated by model experiments with particle image velocimetry (PIV) and image analysis. It is shown, that optimum conditions are achieved for MR_eff between 0.1 and 0.2 with 50% penetration depth for single-sided air injections. For opposite air-injections, as commonly applied in combustion chambers, higher MR_eff are also applicable. The most promising concepts are implemented in a 1.2 MW boiler and experimentally validated. The results show that the combustion quality, described by carbon monoxide (CO), can be improved by a factor of 4, compared to the reference case with already low emissions. Further, the boiler can be operated at lower excess air ratio, enabling an efficiency increase. By implementation of the presented measures, a stable operation from 30% load to full load can be achieved with CO emissions < 15 mg m_n⁻³ at an oxygen volume fraction of 11% and at an excess air ratio of 1.8.     

Electroosmotic flow of a fractional second-grade fluid with interfacial slip and heat transfer in the microchannel when exposed to a magnetic field

We investigated the time-dependent viscoelastic fluid flow through a parallel-plate microchannel under the influence of a transversely applied magnetic field and an axially imposed electric field. We performed the analysis by employing the Poisson-Boltzmann equation under the Debye-Huckel approximation. The generalized second-grade fluid model with a fractional-order time derivative is used to observe the non-Newtonian and fractional behavior rates of deformation employing the Riemann-Liouville fractional operator. We considered the asymmetric zeta potentials and different slip effects at the walls to study the flow behavior near the vicinity of the channel. We obtained an analytical solution in terms of Mittag-Leffler function, applying Fourier and Laplace transformations. We imposed the heat transfer phenomena with the dissipation of energy and Joule heating effects on the model. The governing equations were also solved numerically by employing an implicit finite difference scheme. The numerical solution was compared with the analytical results, considering the influence of the pertinent parameters involved in the problem. The study delineates that the flow rate decreases with a rise in the fractional-order parameter, while the opposite trend is observed with the electroosmotic parameter. Due to the application of sufficient strength of the magnetic field and the Joule heating effects, the temperature increases within the channel.     

Efficient hydrogen production from aqueous methanol in a PEM electrolyzer with porous metal flow field: Influence of PTFE treatment of the anode gas diffusion layer

In a proton exchange membrane (PEM) methanol electrolyzer, the even supply of reactant to and the smooth removal of carbon dioxide from the anode are very important in order to achieve a high hydrogen production performance. An appropriate design of flow field and gas diffusion layer (GDL) is a key factor in satisfying the above requirements. Previous research has shown that hydrogen production performance of the PEM methanol electrolyzer cell was largely improved with a porous flow field made of sintered spherical metal powder compared with a conventional groove type flow field. Based on this improvement, the current study investigated the influence of polytetrafluoroethylene (PTFE) treatment of the anode GDL on hydrogen production performance of the PEM methanol electrolyzer with porous metal flow fields. Influences of operating conditions such as methanol concentration and cell temperature with the flow field were also investigated.