Reactive Gas Flow Research Articles

Performance of the multi-U-style structure based flow field for polymer electrolyte membrane fuel cell

The design of the reactant gas flow field structure in bipolar plates significantly influences the performance of proton exchange membrane fuel cells (PEMFCs). In this study, we introduced four innovative U-shaped flow field designs, namely: In-Out Multi-U, Out-In Multi-U, Distro In-Out Multi-U, and Distro Out-In Multi-U. To investigate the impact of these various flow fields on PEMFC performance, we conducted computational fluid dynamics (CFD) numerical simulations, validated through model experiments. Our results indicate that the Distro Out-In Multi-U flow field offers notable advantages compared to the conventional parallel flow field (CPFF) and conventional serpentine flow field (CSFF). These benefits include reduced inlet and outlet pressures, lower liquid water content, more uniform liquid water distribution, and a more even current density distribution. Furthermore, the Distro Out-In Multi-U design demonstrates improved efficiency, consuming less H2 (91.9%) than the CSFF while achieving a higher net power density output (10.1%). As a result, for the same power output, the Distro Out-In Multi-U utilizes only 83.5% of the H2 consumed by the CSFF. In summary, the U-shaped structured flow field exhibits superior output performance, enhanced energy efficiency, and improved resistance to flooding. These findings suggest that the U-shaped flow field design holds significant potential as a reactive flow field for PEMFCs.

Effect of N2 reactive gas flow rate on the structural, optical and wettability properties of silicon carbon oxynitride thin films

In the current research, the silicon carbon oxynitride (SiCON) thin film was deposited on the silicon (Si) substrate by radio frequency (RF) reactive magnetron sputtering method. To comprehensively assess the impact of nitrogen flux rate on thin film characteristics, a suite of advanced analytical methods was utilized. The GIXRD analysis confirmed that the SiCON thin film is amorphous in structure. Additionally, Raman spectroscopy detected no graphite nanocrystals within the film. Ellipsometry measurements further showed that the refractive index of the thin films rises with increased nitrogen flux in the reactive gas, indicating a direct correlation between nitrogen concentration during deposition and optical properties. Based on the designs made with McLeod's software, the amount of reflection can be reduced up to 5.7 % at the wavelength of 4 μm and up to 8.5 % in the wavelength range of 3–5 μm for an optimal thickness thin film. The atomic force microscopy (AFM) examination revealed that the surface roughness of the thin films decreases as the nitrogen flux in the reactive gas mixture increases. Additionally, measurements of the water contact angle (WCA) indicated that the SiCON thin films exhibit a hydrophilic state.

Large time existence and asymptotic stability of the generalized solution to flow and thermal explosion model of reactive real micropolar gas

We study the long time behavior of the generalized solution of the flow and thermal explosion model of the reactive real micropolar gas. The dynamics of the chemical reaction involved and the usual laws of conservation of mass, momentum, angular momentum, and energy generate a complex governing system of partial differential equations. The fluid is nonideal and non‐Newtonian. In this work, we prove that the problem can be solved in an infinite time domain and establish the asymptotic properties of the solution. Namely, we conclude that for certain parameter values, the solution stabilizes exponentially to a steady‐state solution, while for others the stabilization occurs but at power decay rate. At the end, we conducted a few numerical tests whereby we experimentally confirmed theoretical findings about long‐term behavior of the solution.

Tantalum-doped tin oxide thin films using hollow cathode gas flow sputtering technology

SnO2 and tantalum doped SnO2 (TTO) thin films were prepared using reactive hollow cathode gas flow sputtering (GFS) on glass substrates. An in-situ heating process under vacuum preceded the sputtering. The resistivity of the tin oxide films was reduced to a remarkable low of 2.02 × 10−3 Ω cm, with a carrier concentration of 2.55 × 1020 cm−3 and a mobility of 12.11 cm2V−1s−1. As the substrate temperature increased, the film resistivity decreased. Notably, at a substrate temperature of 270 °C, the effect of Ta doping on the film resistivity and carrier concentration was significantly stronger compared to higher temperatures. Elevating the substrate temperature and Ta doping resulted in a lower refractive index (n). This effect was consistently strong at higher temperatures, attributed to the higher film-free carrier concentration (4.54 × 1020 cm−3) compared to lower temperatures (2.35 × 1020 cm−3). The film's structure was characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and atomic force microscope (AFM). The preferred direction of film growth was discussed. The successful and reproducible fabrication of tin oxide films underscores the advantages of gas flow sputtering (GFS) technology. GFS offers stable operating conditions across various oxygen flow levels without requiring target oxidization control, as is required in magnetron sputtering when managing gas status and film quality.

Characterization of cosputtered (TiZrHfY)Nx films

Medium-entropy TiZrHfY alloy films and corresponding nitride (TiZrHfY)Nx films were fabricated through cosputtering. The Ti0.24Zr0.23Hf0.27Y0.26 film had the form of a hexagonal close-packed (HCP) solid solution with a mixing enthalpy of 9.09 kJ/mol, mixing entropy of 11.50 J/mol·K (1.38 R), atomic size difference of 7.72 %, and valence electron concentration of 3.73. Moreover, this film had a hardness of 6.0 GPa and an elastic modulus of 106 GPa. (TiZrHfY)Nx films with various stoichiometric ratios (x) were fabricated by adjusting the reactive gas flow ratio fN2 [N2/(N2 + Ar)] in the range 0.1–0.7. Adding N to the TiZrHfY matrix resulted in a change of phase from an HCP structure to a face-centered cubic phase. The (Ti0.23Zr0.18Hf0.24Y0.35)N0.71 film (with fN2 = 0.2) exhibited the most favorable mechanical properties, having a hardness of 19.1 GPa and an elastic modulus of 244 GPa. Moreover, the film had the highest critical loads (LC3 = 46.6 N) among the films analyzed in the scratch test. The anticorrosive properties of the TiZrHfY and (TiZrHfY)Nx films were evaluated using potentiodynamic polarization curves, obtained in 3.5 wt% NaCl aqueous solution. High polarization resistance of 1.1 × 106 Ω·cm2 was obtained for the (Ti0.23Zr0.18Hf0.24Y0.35)N0.71 film, which was 145 times higher than that of the bare SUS420 substrate. The (Ti0.23Zr0.18Hf0.24Y0.35)N0.71 film had the most favorable mechanical and anticorrosive properties of the surveyed (TiZrHfY)Nx films.

Fabrication of diamond film under low methane concentration by hot filament chemical vapor deposition with magnetic field assistance

This study focused on improving diamond film growth through hot filament chemical vapor deposition (HFCVD) with an innovative method, magnetic field assistance. The effects on diamond films were thoroughly investigated using a combination of experiments and simulations. The results of scanning electron microscopy (SEM), Raman spectroscopy, and X-ray diffraction (XRD) all showed significant improvements in nucleation rates, film thickness, and grain size, particularly for grains with (111) orientation, when exposed to a 400 mT magnetic field during HFCVD compared to non-magnetic conditions. Magnetic field application in HFCVD was found to promote the formation of larger diamond grains and increase the film growth rate by nearly 45 %. Concurrent Finite Element Method simulations confirmed that the magnetic field improved reactive gas flow and temperature distribution across the substrate, which was consistent with experimental results. These findings suggest that magnetic field assistance in HFCVD may mitigate the limitations of bias assistance, such as the antenna effect, overheating, and stress imbalance. This approach is especially useful for substrates with complex geometries, such as the sharp edges of cutting tools, as it promotes even film growth.

Optimization and test of a ring-ring typed atmospheric pressure plasma jet for optical fabrication

In recent years, the atmospheric pressure plasma jet (APPJ) has gained considerable attention in the field of optical fabrication because the chemical etching approach offers the advantage of avoiding mechanical damage to workpieces. This paper presents the development of an atmospheric pressure plasma machining system with a ring-ring typed APPJ, which exhibits several favorable characteristics. It has a relatively low processing temperature, no electrode corrosion, no plasma contamination, and a long discharge plume, etc. Optimization of the dimensional parameters and analysis of reactive gas flow rate are conducted through experimental investigations. Comparative experiments are carried out with the commonly used needle-ring typed APPJ, revealing significant improvements of the ring-ring typed APPJ, i.e., a fourfold increase in machining distance, a tenfold increase in machining efficiency, and a 58% enhancement in the stability of the material volumetric removal rate. Furthermore, on-line temperature monitoring of the footprint has been achieved due to the specific traits of the extended discharge plume. Fabrication experiments are conducted to demonstrate the significant correlation between the temperature and material removal rate, which shows the possibility of improving the accuracy of optical fabrication based on the ring-ring typed APPJ.

Continuous Synthesis of Diazo Acetonitrile: From Experiments to Physical and Grey‐Box Modeling

AbstractDiazo compounds are gathering interest for their potential in promoting greener synthesis routes. We investigate, at a lab‐scale, the continuous synthesis of diazo acetonitrile (DAN) using a micro‐structured flow reactor and a flow reaction calorimeter. Data concerning DAN formation in the former, and relative to reaction heat and gas flow rate in the latter, are collected. We present a physical and a grey‐box model, both of which are calibrated to our data. Compared to the physical model, the grey‐box approach allows to better incorporate the complex chemical reaction pathways of DAN.

Characterization of fluidized bed chemical vapor deposition ZrC coatings on PyC/YSZ kernels deposited under differing conditions

Coated fuel particle architectures with ZrC coatings are candidate fuels for advanced power reactors and space nuclear propulsion (SNP) concepts. Owing to its relevance to SNP, the composition, microstructure, and mechanical properties of eight ZrC coatings prepared by fluidized bed chemical vapor deposition were evaluated. Evaluation by SEM and EBSD showed that all grains were columnar. Across the various examined samples, minor axis diameters varied between 0.3 and 1.1 μm, and major axis diameters varied between 0.4 and 2.3 μm. Major and minor diameters increased with thickness particularly at higher deposition temperatures in which the major grain axis (from an ellipse fit to the grain shape) increased by 2.5 μm over the entire coating. Coatings with higher reactive gas flows and Zr/C concentrations closer to 1 were observed to contain nanocrystalline graphite deposits. Reactive gas flow doubling led to increases in coating thickness from around 10–15 μm to around 22–27 μm.

Revisitation of reactive direct current magnetron sputtering discharge: Investigation of Mg–CF4, Mg–O2, and Ti–O2 discharges by probe measurements

The reactive direct current (DC) magnetron sputtering discharges of Mg–CF4, Mg–O2, and Ti–O2 were investigated using probe measurements as a function of reactive gas flow ratio. The emission spectroscopy, which was conducted before the probe measurements, demonstrates that all the three DC discharges transit from nonreactive to reactive discharge mode with increasing reactive gas flow ratio. The probe measurements show that the plasma potentials of the Mg–O2 and Ti–O2 DC discharges slightly increase or remain almost constant with increasing reactive gas flow ratio, whereas that of the Mg–CF4 DC discharge drastically decreases at the mode transition. For the same change in reactive gas flow ratio, the discharge voltage of the Mg–CF4 DC discharge slightly increases and that of the Mg–O2 DC discharge drastically increases at the mode transition, whereas that of the Ti–O2 DC discharge slightly decreases at the mode transition. The changes in the cathode sheath potential difference at the mode transition differ between the Mg–CF4 and Ti–O2 DC discharges and the Mg–O2 DC discharge because of the difference in the probability of secondary electron emission at the cathode surface; furthermore, the changes in the anode sheath potential difference at the mode transition differ between the Mg–CF4 DC discharge and the Mg–O2 and Ti–O2 DC discharges because of the difference in the probability of negative-ion formation in the plasma bulk. The most informative results obtained in this study were the differences in the potential differences at the cathode and anode sheaths among the Mg–CF4, Mg–O2, and Ti–O2 DC discharges. They well demonstrated the effects of the change in secondary-emitted species at the cathode surface and the change in reactive gas concentration in the plasma on the potential configuration.

Investigation of properties of novel multilayer Cr/CrN/CrTiN/CrTiAlN hard coating with four bilayers

A novel multilayer Cr/CrN/CrTiN/CrTiAlN hard coating with four bilayers was developed by reactive closed field unbalanced magnetron sputtering (CFUBMS). The substrate temperature was kept in the range of 170 °C to 200 °C. The reactive gas flow was controlled by Optical Emission Monitoring. A thickness of 1.8 μm was determined using a calotester. The morphology and chemical composition were studied by electron microscopy (SEM and EDS). Nanohardness of 34.1 GPa and a modulus of elasticity of 386 GPa were determined using the nanoindentation technique. The scratch test against a diamond Rockwell indenter did not show features indicating poor adhesion. The reciprocating wear test revealed strong resistance to wear, and a coefficient of friction of 0.19 was determined. The developed multilayered hard coating showed optimal mechanical properties for industrial applications on instruments of low-temperature materials.

Application of the Explicitly Iterative Scheme to Simulating Subsonic Reacting Gas Flows

Application of the Explicitly Iterative Scheme to Simulating Subsonic Reacting Gas Flows

Hardness, adhesion, and wear behavior of magnetron cosputtered Ti:Zr-O-N thin films

Reactive magnetron sputtering was used to deposit Ti:Zr-O-N thin films, by using a single Zr target, with Ti ribbons placed on the erosion track of the Zr sputtering target. Zr-O-N thin films have been also deposited in the same chamber to be used as reference films. The number of Ti ribbons, the applied sputtering current, and the reactive gas flow were the variable parameters. The films were analyzed in terms of structural development and mechanical properties (instrumented indentation, adhesion scratch testing, and wear analysis). The films are either amorphous or composed of a mixture of crystalline phases based on zirconium and titanium oxides or nitrides. Hardness values are situated between ∼10 and 11 GPa for the reference films (deposited without Ti) and up to ∼22 GPa for one of the Ti:Zr-O-N films. The films deposited without Ti behave slightly better in terms of adhesion to the substrate in comparison to the remaining samples in relation to the occurrence of first cracks (Lc1, critical load 1) and for first delamination (Lc2, critical load 2), a phenomenon probably related to the lower hardness of these films, which can accommodate the plastic deformation caused by the diamond indenter, prior to the occurrence of delamination. Adhesion to the substrate is a critical characteristic during wear tests since some of the coatings exhibit severe delamination.

Dissolution behavior and kinetic investigation of 〖Ca〗^(2+) in the dissolution of colemanite in propionic acid presence saturated with synthetic flue gas

Colemanite (〖2CaO.3B〗_2 O_3.5H_2 O) is a calcium borate mineral and can be expressed as the primary material of industrial production of boric acid. Boric acid is one of the most essential raw materials obtained by solving colemanite ore in acidic solutions and gases. The dissolution behavior and kinetics of 〖Ca〗^(2+) in a solution of colemanite in a propionic acid solution saturated with synthetic flue gas were examined. In this context; the effects of particle size, reaction temperature, acid concentration, solid-liquid ratio and synthetic flue gas flow rate parameters were investigated. According to the experimental data, it was observed that the amount of 〖Ca〗^(2+) passing to the solution increased with the increase of the reaction temperature, acid concentration and gas flow rate, and with the decrease in solid-liquid ratio and grain size. Experimental results were analyzed by homogeneous and heterogeneous models using the Statistica package program, and it was determined that the dissolution of 〖Ca〗^(2+) in solution complies with the “Avrami” model. The activation energy (E) was found as 〖26.83 kJ.mol〗^(-1) and the Arrhenius constant (A) was found as 〖8.9*10〗^3.

Structure optimisation of cathode parallel polar plate PEMFC based on topology optimisation

Polar plate design can directly affect the performance of the proton exchange membrane fuel cell(PEMFC). A novel topology parallel polar plate design is proposed to improve cell performance. We used the sparse nonlinear optimisation (SNOPT) algorithm to freely evolve the 2D model and obtain the output material factor distribution map. While keeping the height of the gas diffusion layer constant, the channel height is stretched proportionally to the output material factor to obtain 3D models. By analyzing the mass transfer, water management, and cell performance, the results indicate that increasing the selection range of material output factors is beneficial for the diffusion of reactive gases, reducing pressure loss, and improving cell performance. Reducing the selection range of material output factors helps increase the reaction gas flow rate and enhancing drainage performance. The optimisation model with lower limits benefits oxygen diffusion, increasing gas flow rate and pressure loss, and has little impact on drainage. Case 6 performs well in mass transfer and drainage performance, and the pressure loss is relatively small. The quantitative evaluation shows that Case 6 has an improvement of 22.2% compared to the parallel polar plate and 26.5% compared to the serpentine polar plate in cell efficiency.

Suitability of different machine learning methods for high-speed flow modeling issues

In the present study, machine learning algorithms are applied for modeling transport coefficients in strongly nonequilibrium reacting gas flows. As a model case, the problem of a hypersonic flow of a five-component air mixture around a sphere is considered. Various approaches for an application of machine learning methods, such as linear regression, k-nearest neighbors, support vector machine, regression tree, random forest, gradient boosting, and neural network (multilayer perceptron) are investigated. For the transport coefficients regression modeling the combination of machine learning methods with the finite volume method is constructed. The machine learning regressors are trained on the accurate numerical data given by one-temperature approach of the kinetic theory. The results of trained models are compared with approximate formulae of Blottner-Eucken-Wilke model. The results of different machine learning methods are analyzed in terms of the relationship between the obtained accuracy of calculations and the overall speed of calculations. The overall time of dataset formation and model training is estimated. The design of the constructed multilayer perceptron is discussed. The machine learning methods considered in the article can be used for the engineering problem such as design of high-speed aircraft, as well as for modeling of flows around complex shape bodies.

Selective strategy of reactive hysteresis loop for coatings on alloy substrates with different moduli

The structure and properties of nitride films, such as titanium nitride (TiN), depend on the reactive gas (N2) flow rates, which are normally selected according to the reactive hysteresis loops. Film-substrate adhesion depends on the properties of the films and substrates. A selective strategy for the reactive gas flow rate within the hysteresis loop was investigated by characterizing the structure, properties, and failure mechanisms of TiN films on Ti6Al4 V titanium alloy (TC4) and 4Cr5MoSiV1 hot-work die steel (H13). The hysteresis loop of the titanium (Ti) target potential as a function of the N2 flow rate was measured, and flow rates in different sputtering modes were used to prepare TiN films using plasma-enhanced magnetron sputtering. As the N2 flow rate increased from 5 cm3/min, 10 cm3/min, 15 cm3/min to 20 cm3/min, from the metallic mode to the compound mode, the morphologies of the films changed from loose to dense, the phase structures changed from TiN0.3 (002) to TiN (111), (200), and (220), and the nano-hardness and elastic moduli increased. Applying a Rockwell normal load, asymmetric circular cracks appeared and became significant for TiN/TC4 as the N2 flow rate increased to 15–20 cm3/min; cracks were only observed in TiN/H13 at an N2 flow rate of 20 cm3/min. Applying normal and shear scratch stresses, the TiN films peeled off from the TC4, except for TiN, with an N2 flow rate of 10 cm3/min, indicating that the adhesion between TiN and TC4 was weak. No peel-off chips were observed in the scratch morphologies of TiN/H13, indicating excellent adhesion between the films and H13 substrate. Circular cracks appeared in the scratch morphology of TiN0.3, indicating that cohesion had broken within the film. The possible failure mechanism was the large difference in the elastic moduli and hardness of TiN and TC4, which led to TC4 elastic and plastic deformation much earlier than in TiN films. According to numerical simulation, the interfacial tensile stress of TiN/TC4 under a normal load was higher, and the interfacial strain near the indentation edges was larger than that of TiN/H13. Considering the comprehensive properties, a reactive flow rate near the critical point such as 15 cm3/min for TiN/TC4 should be used for the nitride film on a low-hardness and low-modulus substrate; in the compound mode stage, 20 cm3/min for TiN/H13 should be used for the nitride film on a high-hardness and high-modulus substrate.

Hollow Cathode Gas Flow Sputtering of Nickel Oxide Thin Films for Hole‐Transport Layer Application in Perovskite Solar Cells

Nickel oxide (NiO1+δ) is a versatile material used in various fields such as optoelectronics, spintronics, electrochemistry, and catalysis which is prepared with a wide range of deposition methods. Herein, for the deposition of NiO1+δ films, the reactive gas flow sputtering (GFS) process using a metallic Ni hollow cathode is developed. This technique is distinct and has numerous advantages compared to conventional sputtering methods. The NiO1+δ films are sputtered at low temperatures (100 ºC) for various oxygen partial pressures during the GFS process. Additionally, Cu‐incorporated NiO1+δ (Cu x Ni1−x O1+δ) films are obtained with 5 and 8 at% Cu. The thin films of NiO1+δ are characterized and evaluated as a hole‐transporting layer (HTL) in perovskite solar cells (PSCs). The NiO1+δ devices are benchmarked against state‐of‐the‐art self‐assembled monolayers (SAM) ([2‐(3,6‐dimethoxy‐9H‐carbazol‐9‐yl)ethyl]phosphonic acid (also known as MeO2PACz)‐based PSCs. The best‐performing NiO1+δ PSC achieves an efficiency (η) of ≈16% without a passivation layer at the HTL interface and demonstrates better operational stability compared to the SAM device. The findings suggest that further optimization of GFS NiO1+δ devices can lead to higher‐performing and more stable PSCs.

In-field experimental study and multivariable analysis on a PEMFC combined heat and power cogeneration for climate-adaptive buildings with taguchi method

Due to overwhelming advantages in high power density, stability in long-term storage and clear by-product water, application of hydrogen energy in buildings has attracted global interests for sustainable and low-carbon transformation, especially with the fast technology development of proton exchange membrane fuel cell (PEMFC) combined heat and power (CHP) cogeneration system. However, the cost-effective operating control of PEMFC CHP cogeneration system has not been investigated, comprehensively considering intermittence and stochasticity of building energy demands in different climate regions under extreme climates. In this study, in-field experimental study following the orthogonal method is conducted for underlying mechanism analysis of operating parameters on electric power, total power, and electric/thermal (E/T) power ratio of a PEMFC stack, considering energy losses by convection, radiation and exhausted reactant gas flow. Sensitivity analysis of operating parameters on PEMFC output performances is conducted based on Taguchi Method. For climate-adaptive applications of PEMFC CHP cogeneration systems in Guangzhou (cooling-dominated area) and Beijing (heating-dominated area), two operating strategies with electricity- and heat-dominated outputs have been proposed and compared. Results indicate that, the PEMFC output performances are influenced by internal factors, including reaction rate, substance transportation, membrane hydration level and energy losses. Electric power and total power are mainly dependent on coolant inlet temperature, inlet gas pressure and coolant flux, while E/T power ratio is mainly controlled by inlet coolant temperature, inlet gas pressure and cathode stoichiometric ratio. Furthermore, based on the proposed cost-effective operating control (the electricity-dominated output control strategy under extreme hot weather in Guangzhou and heat-dominated output control strategy under extreme cold weather in Beijing), the PEMFC could save 0.246 kg hydrogen with 2.137 × 103 kJ surplus thermal energy one day in Guangzhou, and save 2.763 kg hydrogen with 3.527 × 103 kJ surplus electric energy one day in Beijing. This study could provide a guideline for operating parameter selections of PEMFC CHP cogeneration system in variable climate areas.

Investigation of silicon carbon oxynitride thin film deposited by RF magnetron sputtering

In this research, silicon carbon oxynitride (SiCON) thin films were deposited on silicon substrate by a radio frequency magnetron sputtering method. The effect of methane reactive gas flow rate on the structural, morphological, optical, and mechanical properties of the thin films was evaluated by using of grazing incidence X-ray diffraction (GIXRD), Raman spectroscopy, attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS) , field emission scanning electron microscopy (FESEM), atomic force microscopy (AFM), fourier transform infrared spectroscopy (FTIR), ellipsometry and nano-indentation methods. The results of the GIXRD proved the formation of an amorphous structure in the thin films. Also, the Raman spectroscopy results determined the absence of graphite nanocrystals in the thin film structure. FE-SEM revealed the formation of a thin film with a smooth, dense and crack-free surface. AFM results showed that SiCON thin film is formed with very low surface roughness in the RMS range of 0.73 nm to 4.39 nm. The results of the ellipsometry analysis indicated that the refractive index of the thin film was changed during increase of the CH4 reactive gas flow rate in the of 1.4 to 1.61 at 4 µm. According to the nano-indentation results, sample N10-C20-R1 has the highest hardness and Young's modulus equals 22.7 GPa and 231.6 GPa, respectively.