Numerical simulation of ammonia/methane/air combustion using reduced chemical kinetics models

Ammonia appears to be a potential alternative fuel that can be used as a hydrogen vector and fuel for gas turbines and internal combustion engines. Chemical mechanisms of ammonia combustion are important for the development of ammonia combustion systems, but also as a mean of investigation of harmful NOx emissions, so they can be minimized. Despite of large body of experimental and modelling work on the topic of ammonia combustion, there is still need for additional investigation of combustion kinetics.The object of this work is further numerical study of ammonia combustion chemistry under conditions resembling industrial ones. After literature review, three mechanisms of ammonia combustion that also include carbon chemistry are used for simulation of experimental premixed swirl burner with the aim of evaluating their performance. San Diego mechanism, that was also the most detailed one, proved to be the best in terms of emissions, but neither one of the models was able to accurately reproduce CO emission after equivalence ratio went beyond 0.81. It was also observed that oxygen is excessively consumed. This study contributes to the current knowledge by providing new insights in ammonia burning conditions closely resembling those in industrial applications, and consequently is expected that insights obtained will help in the design of real industrial burning systems.     

Influence of bunch maturation and chemical precursors on acrylamide formation in starchy banana chips

The present study investigated the effect of ripening stages and chemical precursors on acrylamide formation in deep-fried chips of five plantains and one cooking banana. The highest level of acrylamide was found in the cooking banana, followed by False Horn plantain and French plantain, respectively. French plantain hybrids exhibited a significantly lower (P < 0.05) level of acrylamide when compared to French plantain. The ripening stage demonstrated a positive Pearson correlation (P < 0.05, r = 0.57) with acrylamide formation. As ripening progressed, the levels of glucose and fructose significantly increased (P < 0.05) and showed a positive correlation with acrylamide formation (r = 0.85 and 0.96, respectively). The level of the amino acid asparagine during ripening was not correlated with acrylamide formation. In contrast, the level of histidine, arginine, iso-leucine and cystine during ripening was positively correlated (P < 0.05, r > 0.60) with acrylamide formation in fried chips. The higher level of TP was significantly related (P < 0.05) to the lower level of acrylamide (r = −0.62). The reduced levels of carotenoid isomers, except lutein, during fruit ripening were positively correlated (P < 0.05) with acrylamide formation, especially trans-BC (r = 0.72) and 9-cis-BC(r = 0.64).     

Numerical modelling of a low power non-transferred arc plasma reactor for methane conversion

Thermal flow characteristics and the methane conversion reaction in a low power arc plasma reactor for efficient storage and transport of methane, which is the main component of shale gas, were simulated. The temperature and velocity distributions were calculated according to the type of discharge gases and arc current level by a self-developed magnetohydrodynamics (MHD) code and a commercial ANSYS-FLUENT code; the transport of chemical species was analyzed as including the chemical reactions of methane conversion. The simulated results were verified by the comparison of calculated and measured arc voltages with permissible low error as under 4%. Three C₂ hydrocarbon gases with ethane (C₂H₆), ethylene (C₂H₄), and acetylene (C₂H₂) were selected as the converted species of methane from experimental data. The mass fraction of C₂ hydrocarbons and hydrogen as the product of the conversion reaction at the reactor was also calculated. Those values show good agreement with the actual experimental results in that the major conversion reaction occurred in C₂H₂ and hydrogen, and the conversions to C₂H₆, C₂H₄, and hydrogen were minor reactions of methane pyrolysis conversion.     

Preparation of (110)-oriented SrTiO3 film on quartz glass by laser chemical vapor deposition

SrTiO₃ (STO) film was prepared on quartz glass by laser chemical vapor deposition at a deposition temperature (T_dep) ranged from 760 to 1104 K. Effect of the T_dep on the orientation, crystallinity, texture, and microstructure of the STO film was investigated. As the T_dep was increased, the preferred orientation of the STO film tended to be (110)-orientated with corresponding texture coefficient (TC) on the (110) reflection enhanced from 2.3 to 6; meanwhile, the full width at half maximum of the ω-scan on the (110) reflection decreased from 0.85° to 0.59°. The (110)-oriented grains were in wedge shape about 60 × 150 nm in size, which tended to be flat at an elevated T_dep of 1104 K.     

Gas Responsive Nanoswitch: Copper Oxide Composite for Highly Selective H2S Detection

A nanocomposite material based on copper(II) oxide (CuO) and its utilization as a highly selective and stable gas‐responsive electrical switch for hydrogen sulphide (H₂S) detection is presented. The material can be applied as a sensitive layer for H₂S monitoring, e.g., in biogas gas plants. CuO nanoparticles are embedded in a rigid, nanoporous silica (SiO₂) matrix to form an electrical percolating network of low conducting CuO and, upon exposure to H₂S, highly conducting copper(II) sulphide (CuS) particles. By steric hindrance due to the silica pore walls, the structure of the network is maintained even though the reversible reaction of CuO to CuS is accompanied by significant volume expansion. The conducting state of the percolating network can be controlled by a variety of parameters, such as temperature, electrode layout, and network topology of the porous silica matrix. The latter means that this new type of sensing material has a structure‐encoded detection limit for H₂S, which offers new application opportunities. The fabrication process of the mesoporous CuO@SiO₂ composite as well as the sensor design and characteristics are described in detail. In addition, theoretical modeling of the percolation effect by Monte‐Carlo simulations yields deeper insight into the underlying percolation mechanism and the observed response characteristics.     

Impact of oxygenated cottonseed biodiesel on combustion,performance and emission parameters in a direct injection CI engine

In the present study, biodiesel production from the crude cotton-seed oil (CSO) and its feasibility to be used as fuel in compression ignition engine was analysed. Single-stage transesterification at molar ratio of 8:1 on crude CSO yielded 94% of cottonseed biodiesel (CBD). Gas chromatogram/mass spectrometry analysis revealed the presence of 19.5% unsaturated and 80.5% saturated esters in cotton seed biodiesel. Taguchi approach identified the stable fuel blend with oxygenate concentration. Increased oxygen concentration up to 20% were also analysed to understand the variation. Higher peak in-cylinder pressure was observed in D80CBD20 fuel blend. Diesel–biodiesel blend with oxygenate significantly affected the ignition delay and also resulted in varied exhaust gas temperature. D80CBD20nB10 showed an increase in brake thermal efficiency, whereas D80CBD20 exhibited higher brake specific energy consumption at full load. Carbon monoxide, hydrocarbon and smoke emission was found to be high in diesel with higher oxides of nitrogen in D80CBD20nB10. This experimental investigation finally revealed that, D80CBD20nB10 improved the combustion and performance characteristics with minimal emissions.

Abbreviations ASTM: American Society for Testing and Materials; BP: brake power; BSEC: brake specific energy consumption; BTE: brake thermal efficiency; CBD: cottonseed biodiesel; CI: compression ignition; CO: carbon monoxide; CO₂: carbon dioxide; CSO: cottonseed oil; DEE: diethyl ether; DOE: design of experiments; EGT: exhaust gas temperature; FTIR: Fourier transform infrared spectrometry; GC/MS: gas chromatogram/mass spectrometry; HC: hydrocarbon; HRR: heat release rate; HSDI: high speed direct injection; IDI: indirect injection; KOH: potassium hydroxide; MFB: mass fraction burned; NaOH: sodium hydroxide; NMR: nuclear magnetic resonance; N₂O: nitrous oxide; NO: nitric oxide; NO₂: nitrogen dioxide; NO _x : oxides of nitrogen; ROHR: rate of heat release; ROPR: rate of pressure rise; SOC: start of combustion; aTDC: after top dead centre; bTDC: before top dead centre     

煤直接液化反应中分散相催化剂研究进展

煤直接液化工艺中催化剂作用十分重要,粒径小、分散性高的催化剂能够有效提升煤转化效率。将流动反应介质中小颗粒的固体催化剂命名为分散相催化剂,综述煤直接液化中常用的几种分散相催化剂,包括金属卤化物催化剂、过渡金属氧化物催化剂和铁系催化剂,提出可能的催化机理。     

Theoretical and experimental studies of a new aniline derivative corrosion inhibitor for mild steel in acid medium

4-Chloro-N-(pyridin-2-ylmethyl)aniline (CPYA) was synthesized by a simple and inexpensive method and tested as a corrosion inhibitor in acid medium for mild steel by using gravimetric studies and electrochemical measurements. An average maximum efficiency of 96.0% was achieved at 4.59 mmol/L. Corrosion kinetic and thermodynamic parameters were also analyzed. Surface analyses (atomic force microscopy and scanning electron microscopy) show that protection is enabled by adsorption on the metal, forming a film. Quantum chemical calculations were performed to access information regarding the molecular structure in the corrosive medium and to support interpretation of the results obtained by experimental methods.