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《Ceramics International》2022,48(12):16649-16655
Effective adhesion between AlOx and SiOx is important for protective coatings and high-k films under extreme operating conditions. Here, we study the chemo-mechanical behavior of the AlOx/SiOx interface and its delamination mechanism using all-atom reactive molecular dynamics simulations. The structure of the interface is examined by the formation of bridge oxygen and the distribution of nanopores. The cleavage of ionic bonds during delamination and the resulting adhesion strength of the system are quantified using pull-out simulations. The results reveal the dependence of the nanopores and ionic bond formation on the oxide structure. The ionic bond density at the interface increases as the oxidation of the aluminum surface proceeds, which directly increases the adhesion strength with SiOx. In particular, the global coordination distribution in the homogeneously grown oxide inhibits the formation of nanopores inside the aluminum substrate and contributes to extremely high adhesion strength. This reveals a fundamental relationship between physicochemical parameters and engineering mechanics for hetero-oxide structure design. 相似文献
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The coupling of reaction and diffusion between neighboring active sites in the catalyst pore leads to the spatiotemporal fluctuation in component concentration, which is very important to catalyst performance and hence its optimal design. Molecular dynamics simulation with hard-sphere and pseudo-particle modeling has previously revealed the non-stochastic concentration fluctuation of the reactant/product near isolated active site due to such coupling, using a simple model reaction of A → B in 2D pores. The topic is further developed in this work by studying the concentration fluctuation due to such coupling between neighboring active sites in 3D pores. Two 3D pore models containing an isolated active site and two adjacent active sites were constructed, respectively. For the isolated site, the concentration fluctuation intensifies for larger pores, but the product yield decreases, and for a given pore size, the product yield reaches a peak at a certain reactant concentration. For two neighboring sites, their distance (d) is found to have little effect on the reaction, but significant to the diffusion. For the same reaction competing at both sites, larger d leads to more efficient diffusion and better overall performance. However, for sequential reactions at the two sites, higher overall performance presents at a smaller d. The results should be helpful to the catalyst design and reaction control in the relevant processes. 相似文献
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《International Journal of Hydrogen Energy》2022,47(18):10137-10155
In this work, hydrate based separation technique was combined with membrane separation and amine-absorption separation technologies to design hybrid processes for separation of CO2/H2 mixture. Hybrid processes are designed in the presence of different types of hydrate promoters. The conceptual processes have been developed using Aspen HYSYS. Proposed processes were simulated at different flow rates for the feed stream. A comprehensive cost model was developed for economic analysis of novel processes proposed in this study. Based on the results from process simulation and equipment sizing, the amount of total energy consumption, fixed cost, variable cost, and total cost were calculated per unit weight of captured CO2 for various flow rates of feed stream and in the presence of different hydrate promoters. Results showed that combination of hydrate formation separation technique with membrane separation technology results in a CO2 capture process with lowest energy consumption and total cost per unit weight of captured CO2. As split fraction and heat of hydrate formation increases, the share of hydrate formation section in total energy consumption increases. When TBAB is applied as hydrate promoter, due to its higher hydrate separation efficiency, more amount of CO2 is captured in hydrate formation section and consequently the total cost for process decreases considerably. Hybrid hydrate-membrane process in the presence of TBAB as hydrate promoter with 29.47 US$/ton CO2 total cost is the best scheme for hybrid hydrate CO2 capture process. Total cost for this process is lower than total cost for single MDEA-based absorption process as the mature technology for CO2 capture. 相似文献
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《Mechatronics》2022
A large-scale high-precision scan stage is important equipment in the industrial productions of micro-fabrication such as flat panel display (FPD) lithography systems. Designing controllers for multi-input multi-output (MIMO) systems is time-consuming and needs experience because of the interaction between each axis and many controller tuning parameters. The aim of this study is to develop a peak filter design method based on frequency response data to reduce repetitive disturbance. This data-based approach does not use the model and only uses the frequency response data of the controlled system and the disturbance spectrum calculated from the scanning error data (Contribution 1). The peak filter is designed by convex optimization and satisfies robust stability conditions for six-degree-of-freedom systems (Contribution 2). The control performance of the designed peak filter is experimentally demonstrated with an industrial MIMO large-scale high-precision scan stage in reducing the scanning error of the main stroke of the translation along the -axis (Contribution 3). 相似文献
7.
《International Journal of Hydrogen Energy》2022,47(89):38043-38054
Aiming at improving the relatively low energy output and energy conversion efficiency of the micro-thermal voltaic (MTPV) system, an innovative heat recirculating micro combustor with pin fins is designed. The effects of pin fins arrangement, hydrogen/air equivalent ratio on the energy output and performance of CHMC, HMCP and HMCI are compared and investigated. The result shows that when the Vin is 6 m/s and Φ is 1.0, the emitter power of CHMC is 72.76W, and that of HCMP and HCMI micro combustor are 75.99W and 76.35W. and the emitter efficiency of CHMC, HCMP and HCMI is 41.93%, 43.26% and 44.01%. HMCI has better energy output capability compared with CHMC and HMCP. Even though, HMCI brings a higher pressure drop, it is within the acceptable range. When the Vin is 6 m/s, the pressure drop from the pin fins only accounts for 26.4% of the total pressure drop for HMCI. Through the study of equivalent ratio, it is found that HMCI has good adaptability in different equivalent ratio range. This work provides new ideas for the development of MTPV system in the future. 相似文献
8.
《International Journal of Hydrogen Energy》2022,47(97):41195-41207
Hydrogen produced from renewable resources is one of the cleanest fuels and could be used to store intermittent solar, wind and other energies. The main concern about using hydrogen is its hazards, such as high storage pressure, wide-range flammability, low mass density, and high diffusion. This study investigated the hazards of compressed hydrogen storage by developing a CFD model to understand the gas dispersion behaviour. The model was validated using the past experimental data and showed a good agreement, which could demonstrate the diffusion characteristics and gas stratification of a buoyant gas. A case study of an accidental release of compressed hydrogen from a storage tank was investigated to evaluate the risk of a hydrogen plant. A mathematical model of the jet spill was used to account for the choking effect from a high-pressure release to ensure the input velocity in CFD simulation is suitable for modelling gas dispersion using verified spatial and temporal scales, then the simulation results were used as inputs of vapour cloud explosions (VCEs) to investigate the potential overpressure effect. It was found the CFD model could predict a more reasonable flammable gas amount in cloud than using the bulk hydrogen release rate. The safety distance based on the overpressure prediction was reduced by 35%. The method proposed in this study can provide more validity for the consequence analysis as part of risk assessment. 相似文献
9.
Donghai Xu Peng Feng Yang Wang Wanpeng Yang Yu Wang Shaoyan Sun 《American Institute of Chemical Engineers》2022,68(2):e17472
Corrosion and salt deposition problems severely restrict the industrialization of supercritical water oxidation. Transpiring wall reactor can effectively weaken these two problems by a protective water film. In this work, methanol was selected as organic matter, and the influences of vital structural parameters on water film properties and organic matter removal were studied via numerical simulation. The results indicate that higher than 99% of methanol conversion could be obtained and hardly affected by transpiration water layer, transpiring wall porosity and inner diameter. Increasing layer and porosity reduced reactor center temperature, but inner diameter's influence was lower relatively. Water film temperature reduced but coverage rate raised as layer, porosity, and inner diameter increased. Notably, the whole reactor was in supercritical state and coverage rate was only approximately 85% in the case of one layer. Increasing reactor length affected slightly the volume of the upper supercritical zone but enlarged the subcritical zone. 相似文献
10.
益生菌可在肠道定植从而发挥抗炎或抗氧化活性,有利于宿主肠道健康。本实验研究了从新疆传统发酵乳制品中分离得到的8?株植物乳杆菌对大肠杆菌侵袭和过氧化氢刺激肠上皮细胞HT-29的保护作用。结果表明:在8?株植物乳杆菌中,植物乳杆菌35具有最高的黏附能力。植物乳杆菌35可通过取代、竞争、排阻的方式抑制大肠杆菌对HT-29细胞的黏附,抑制率分别为42.60%、59.17%、60.19%。植物乳杆菌35及其多糖可抑制大肠杆菌刺激HT-29细胞产生白细胞介素-8;同时保护HT-29细胞免受过氧化氢的损伤,增加超氧化物歧化酶、谷胱甘肽过氧化物酶活力水平并降低丙二醛含量。结论:植物乳杆菌35及其粗胞外多糖具有抑制大肠杆菌O157诱导的炎症性肠病的潜力。 相似文献