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排序方式: 共有8243条查询结果,搜索用时 31 毫秒
1.
Lindsey Yue Alicia Bayon Wojciech Lipiński 《American Institute of Chemical Engineers》2021,67(8):e17267
The effects of particle size and carbon dioxide concentration on chemical conversion in engineered spherical particles undergoing calcium oxide looping are investigated. Particles are thermochemically cycled in a furnace under different carbon dioxide concentrations. Changes in composition due to chemical reactions are measured using thermogravimetric analysis. Gas composition at the furnace exit is evaluated with mass spectroscopy. A numerical model of thermal transport phenomena developed previously is adapted to match the physical system investigated in the present study. The model is used to elucidate effects of reacting medium characteristics on particle temperature and reaction extent. Experimental and numerical results show that (1) an increase in particle size results in a decrease in carbonation extent, and (2) the carbonation step consists of fast and slow reaction regimes. The reaction rates in the fast and slow carbonation regimes increase with increasing carbon dioxide concentration. The effect of carbon dioxide concentration and the distinction between the fast and slow regimes become more pronounced with increasing particle size. 相似文献
2.
《International Journal of Hydrogen Energy》2022,47(8):5393-5402
Li+ doping is regarded as an effective strategy to enhance the room-temperature hydrogen storage of metal-organic frameworks (MOFs). In this work, Li+ is doped into both MIL-100(Fe) and MIL-100(Fe)/graphene oxide (GO) composite, and it is demonstrated that the hydrogen uptake of Li+ doped MIL-100(Fe)/GO (2.02 wt%) is improved by 135% compared with Li+ doped MIL-100(Fe) (0.86 wt%) at 298 K and 50 bar, which is ascribed to its higher isosteric heat of adsorption (7.33 kJ/mol) resulting from its more accessible adsorption sites provided by doped Li+ ions and ultramicropores. Grand canonical Monte Carlo (GCMC) simulation reveals that Li+ ions distributing in the interface between MIL-100(Fe) and GO within MIL-100(Fe)/GO composite is favorable for hydrogen adsorption owing to the increased number of adsorption sites, thus contributing to the enhanced hydrogen storage capacity. These findings demonstrate that MIL-100(Fe)/GO is a more promising Li+ doping substrate than MIL-100(Fe). 相似文献
3.
《Journal of the European Ceramic Society》2021,41(13):6722-6728
Extensive researches on scintillators have been executed to satisfy the excellent radiation detection materials in broad applications. However, practical application of conventional scintillators is limited due to the limitations of high cost, time-consuming fabrication process and insufficient radioluminescence. Herein, high density precursor glass doped with Tb3+ was designed to absorb X-ray efficiently and produce green emission. Molecular dynamics simulation was used to simulate the phase separation process in melting process. Then, Tb3+-doped Ba0.84Gd0.16F2.16 glass ceramics (GCs) with excellent structural and optical properties were elaborated by melt quenching technic and further heat treating. Their structural properties, photoluminescence (PL) and X-ray excited luminescence (XEL) were explored detailedly. The internal quantum efficiency of PL is 64 % in GCs. The XEL intensity is 192 % of that of Bi4Ge3O12 (BGO) commercial scintillator. Our results suggest that Ba0.84Gd0.16F2.16:Tb3+ GCs might have potential application in X-ray detection. 相似文献
4.
Ionela-Dorina Dumbrava Calin-Cristian Cormos 《International Journal of Hydrogen Energy》2021,46(45):23149-23163
Hydrogen production by biogas conversion represent a promising solution for reduction of fossil CO2 emissions. In this work, a detailed techno-economic analysis was performed for decarbonized hydrogen production based on biogas conversion using calcium and chemical looping cycles. All evaluated concepts generate 100,000 Nm3/h high purity hydrogen. As reference cases, the biogas steam reforming design without decarbonization and with CO2 capture by gas-liquid chemical absorption were also considered. The results show that iron-based chemical looping design has higher energy efficiency compared with the gas-liquid absorption case by 2.3 net percentage points as well as a superior carbon capture rate (99% vs. 65%). The calcium looping case shows a lower efficiency than chemical scrubbing, with about 2.5 net percentage points, but the carbon capture rate is higher (95% vs. 65%). The hydrogen production cost increases with decarbonization, the calcium looping shows the most favourable situation (37.14 €/MWh) compared to the non-capture steam reforming case (33 €/MWh) and MDEA and iron looping cases (about 42 €/MWh). The calcium looping case has the lowest CO2 avoidance cost (10 €/t) followed by iron looping (20 €/t) and MDEA (31 €/t) cases. 相似文献
5.
Yumeng Zhang Yudan Zhu Anran Wang Qingwei Gao Yao Qin Yaojia Chen Xiaohua Lu 《中国化学工程学报》2019,27(6):1403-1415
In modern chemical engineering processes, solid interface involvement is the most important component of process intensification techniques, such as nanoporous membrane separation and heterogeneous catalysis. The fundamental mechanism underlying interfacial transport remains incompletely understood given the complexity of heterogeneous interfacial molecular interactions and the high nonideality of the fluid involved. Thus, understanding the effects of interface-induced fluid microstructures on flow resistance is the first step in further understanding interfacial transport. Molecular simulation has become an indispensable method for the investigation of fluid microstructure and flow resistance. Here, we reviewed the recent research progress of our group and the latest relevant works to elucidate the contribution of interface-induced fluid microstructures to flow resistance.We specifically focused on water, ionic aqueous solutions, and alcohol–water mixtures given the ubiquity of these fluid systems in modern chemical engineering processes. We discussed the effects of the interfaceinduced hydrogen bond networks of water molecules, the ionic hydration of ionic aqueous solutions, and the spatial distributions of alcohol and alcohol–water mixtures on flow resistance on the basis of the distinctive characteristics of different fluid systems. 相似文献
6.
Molecular-dynamics (MD) simulations have been performed for the growth of a spherical methane-hydrate nano-crystallite, surrounded by a supersaturated water-methane liquid phase, using both a hybrid and globalsystem thermostatting approach. It was found that hybrid thermostatting led to more sluggish growth and the establishment of a radial temperature profile about the spherical hydrate crystallite, in which the growing crystal phase is at a higher temperature than the surrounding liquid phase in the interfacial region, owing to latent-heat dissipation. In addition, Onsager's-hypothesis fluctuation-dissipation analysis of fluctuations in the number of crystal-state water molecules at the interface shows slower growth. 相似文献
7.
Shanke Liu Hui Jin Yan Yang Lijun Yu 《International Journal of Hydrogen Energy》2021,46(54):27473-27482
Benzothiophene (BT) is a key sulfur-containing intermediate product in the thermal conversion process of coal and heavy oil. The migration process of the sulfur element may affect the thermal utilization design of BT. In this paper, BT was used as a model compound to simulate the supercritical water gasification (SCWG) process by molecular dynamics with a reactive force field (ReaxFF) method, and the laws of hydrogen production and sulfur migration mechanisms were obtained. Increasing the molecule number of supercritical water (SCW) and increasing the reaction temperature can enhance the generation of hydrogen and promote the conversion of organic sulfur to inorganic sulfur. Water was the main source of H2, and H2S was the main gaseous sulfur-containing product. SCW had a certain degree of oxidation due to a large number of hydroxyl radicals, which could increase the valence of sulfur. The conversion process of BT in SCW was mainly divided into four stages, including thiophene ring-opening; sulfur separation or carbon chain broke with sulfur retention; carbon chain cleaved, and gas generation. The lumped kinetic parameters of the conversion of sulfur in BT to inorganic sulfur were calculated, and the activation energy was 369.98 kJ/mol, which was much lower than those under pyrolysis conditions. This article aims to clarify the synergistic characteristics of hydrogen production and sulfur migration in the SCWG process of BT from the molecular perspective, which is expected to provide a theoretical basis for pollutant directional removal during hydrogen production by sulfur-containing organic matters in SCW. 相似文献
8.
As an industrial solid waste, pyrite cinder exhibited excellent reactivity and cycle stability in chemical looping combustion. Prior to the experiment, oxygen carriers often experienced a high temperature calcination process to stabilize the physico-chemical properties, which presented significant influence on the redox performance of oxygen carriers. However, the effect of calcination temperature on the cyclic reaction performance of pyrite cinder has not been studied in detail. In this work, the effect of calcination temperature on the redox activity and attrition characteristic of pyrite cinder were studied in a fluidized-bed reactor using CH4 as fuel. A series of pyrite cinder samples were prepared by controlling the calcination temperature. The redox activity and attrition rate of the obtained pyrite cinder samples were investigated deeply. The results showed that calcination temperature displayed significant impact on the redox performance of pyrite cinder. Considering CH4 conversion (80%–85%) and attrition resistance, the pyrite cinder calcined at 1050?℃ presented excellent redox properties. In the whole experiment process, the CO2 selectivity of the pyrite cinder samples were not affected by the calcination temperature and were still close to 100%. The results can provide reference for optimizing the calcination temperature of pyrite cinder during chemical looping process. 相似文献
9.
10.
《Ceramics International》2021,47(23):32648-32656
In this study, the effects of different water amounts, CO2 blowing pressures, Na2O:SiO2 and K2O:SiO2 ratios were studied on the bonding strength of Na2SiO3 and K2SiO3 binders. It was concluded that the increase in water content had an adverse effect on the bonding strength of CO2-hardened Na2SiO3 sand. The blowing pressure did not have a linear relationship with the bonding strength, but it was closely related to the diffusion coefficient of CO2. Based on scanning electron microscopic results, it was inferred that the low strength was caused by the formation of lamellar crystals after the adhesive was hardened. It was found that the low strength was caused by the formation of lamellar crystals after the adhesive was hardened. Based on molecular dynamics simulations, different pressures and water contents had a great influence on the diffusion coefficient of CO2 in the silicate binder system. This research provides an important theoretical background to improve the technology of CO2-hardened Na2SiO3- and K2SiO3-bonded sands during the casting process. 相似文献