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151.
The effect of charge on the dihydrogen storage capacity of Sc2–C6H6 has been investigated at B3LYP-D3/6-311G(d,p) level. The neutral system Sc2–C6H6 can store 8H2 with gravimetric density of 8.76 wt %, and one H2 dissociates and bonds atomically on the scandium atom. The adsorption of 8H2 on Sc2–C6H6 is energetically favorable below 155 K. The atom-centered density matrix propagation (ADMP) molecular dynamics simulations show that Sc2–C6H6 can adsorb 3H2 within 1000 fs at 300K. Compared with Sc2–C6H6, the charged systems can adsorb more hydrogen molecules with higher gravimetric density, and all the H2 are adsorbed in the molecular form. The gravimetric densities of Sc2–C6H6+ and Sc2–C6H62+ are 9.75 and 10.71 wt%. Moreover, the maximum adsorption of charged systems are favorable in wider temperature range. Most importantly, the ADMP-MD simulations indicate that Sc2–C6H62+ can adsorb 6 hydrogen molecules within 1000 fs at 300K. It can be found that the gravimetric density (6.72 wt%) of Sc2–C6H62+ still exceeds the target of US Department of Energy (DOE) under ambient conditions. 相似文献
152.
Li Lin Harry Haoxiang Wang Yuewei Liu Ciyong Lu Weiqing Chen Vivian Yawei Guo 《Indoor air》2021,31(6):2158-2166
A cross-sectional study was conducted to investigate the impact of solid fuel use for heating and cooking on blood pressure (BP) and hypertension, using data from the China Health and Retirement Longitudinal Study (CHARLS). The primary fuels used for indoor heating and cooking were collected by questionnaires, respectively. Hypertension was defined based on self-report of physician's diagnosis, and/or measured BP, and/or anti-hypertensive medication use. Multivariate logistic regression models were constructed to assess the associations. Among 10 450 eligible participants, 68.2% and 57.2% used indoor solid fuel for heating and cooking, respectively. Compared with none/clean fuel users, solid fuel for heating was associated with elevated BP (adjusted β: 2.02, 95% CI: 1.04–3.01 for systolic BP; adjusted β: 1.36, 95% CI: 0.78–1.94 for diastolic BP) and increased risk of hypertension (adjusted odds ratio: 1.15, 95% CI: 1.03–1.29). The impact of indoor solid fuel for heating on BP was more evident in rural and north residents, and hypertensive patients. We did not detect any significant associations between solid fuel use for cooking and BP/hypertension. Indoor solid fuel use is prevalent in China, especially in the rural areas. Its negative impact on BP suggested that modernization of household fuel use may help to reduce the burden of hypertension in China. 相似文献
153.
Wireless Personal Communications - Current mobile communications technology relies heavily on efficient design of antennas, where the operational characteristics of the wireless communication... 相似文献
154.
D. Kherifi H. Belhouchet S. Ramesh K.Y. Sara Lee A. Kenzour S. Djoualah M.K.G. Abbas Y.H. Wong S. Ramesh 《Ceramics International》2021,47(12):16483-16490
In this work, the sintering behaviour of fluorapatite (FAp)–silicate composites prepared by mixing variable amounts of natural quartz (2.5 wt% to 20 wt%) and FAp was studied. The composites were pressureless sintered in air at temperatures from 1000 °C to 1350 °C. The effects of temperatures on the densification, phase formation, chemical bonding and Vickers hardness of the composites were evaluated. All the samples exhibited mixed phase, comprising FAp and francolite as the major constituents along with some minor phases of cristobalite, wollastonite, dicalcium silicate and/or whitlockite dependent on the quartz content and sintering temperature. The composite containing 2.5 wt% quartz exhibited the best sintering properties. The highest bulk density of 3 g/cm3 and a Vickers hardness of >4.2 GPa were obtained for the 2.5 wt% quartz–FAp composite when sintered at 1100 °C. The addition of quartz was found to alter the microstructure of the composites, where it exhibited a rod-like morphology when sintered at 1000 °C and a regular rounded grain structure when sintered at 1350 °C. A wetted grain surface was observed for composites containing high quartz content and was believed to be associated with a transient liquid phase sintering. 相似文献
155.
Process object is the instance of process. Vertexes and edges are in the graph of process object. There are different types of the object itself and the associations between object. For the large-scale data, there are many changes reflected. Recently, how to find appropriate real-time data for process object becomes a hot research topic. Data sampling is a kind of finding c hanges o f p rocess o bjects. There i s r equirements f or s ampling to be adaptive to underlying distribution of data stream. In this paper, we have proposed a adaptive data sampling mechanism to find a ppropriate d ata t o m odeling. F irst o f all, we use concept drift to make the partition of the life cycle of process object. Then, entity community detection is proposed to find changes. Finally, we propose stream-based real-time optimization of data sampling. Contributions of this paper are concept drift, community detection, and stream-based real-time computing. Experiments show the effectiveness and feasibility of our proposed adaptive data sampling mechanism for process object. 相似文献
156.
157.
How to improve the sensitivity of the temperature-sensing luminescent materials is one of the most important objects currently. In this work, to obtain high sensitivity and learn the corresponding mechanism, the rare earth (RE) ions doped Y4.67Si3O13 (YS) phosphors were developed by solid-state reaction. The phase purity, structure, morphology and luminescence characteristics were evaluated by XRD, TEM, emission spectra, etc. The change of the optical bandgaps between the host and RE-doped phosphors was found, agreeing with the calculation results based on density-functional theory. The temperature-dependence of the upconversion (UC) luminescence revealed that a linear relationship exists between the fluorescence intensity ratio of Ho3+ and temperature. The theoretical resolution was evaluated. High absolute (0.083 K−1) and relative (3.53% K−1 at 293 K) sensitivities have been gained in the YS:1%Ho3+, 10%Yb3+. The effect of the Yb3+ doping concentration and pump power on the sensitivities was discussed. The pump-power–dependence of the UC luminescence indicated the main mechanism for high sensitivities in the YS:1%Ho3+, 10%Yb3+. Moreover, the decay-lifetime based temperature sensing was also evaluated. The above results imply that the present phosphors could be promising candidates for temperature sensors, and the proposed strategies are instructive in exploring other new temperature sensing luminescent materials. 相似文献
158.
Xi Chen Zhengkun Yu Chen Yang Yao Chen Chao Jin Yuejiao Ding Wenbin Li Zhongmin Wan 《International Journal of Hydrogen Energy》2021,46(19):11127-11139
Flow field structure can largely determine the output performance of Polymer electrolyte membrane fuel cell. Excellent channel configuration accelerates electrochemical reactions in the catalytic layer, effectively avoiding flooding on the cathode side. In present study, a three-dimensional, multi-phase model of PEMFC with a 3D wave flow channel is established. CFD method is applied to optimize the geometry constructions of three-dimensional wave flow channels. The results reveal that 3D wave flow channel is overall better than straight channel in promoting reactant gases transport, removing liquid water accumulated in microporous layer and avoiding thermal stress concentration in the membrane. Moreover, results show the optimal flow channel minimum depth and wave length of the 3D wave flow channel are 0.45 mm and 2 mm, respectively. Due to the periodic geometric characteristics of the wave channel, the convective mass transfer is introduced, improving gas flow rate in through-plane direction. Furthermore, when the cell output voltage is 0.4 V, the current density in the novel channel is 23.8% higher than that of conventional channel. 相似文献
159.
Do T. Hue Rebel Skirving Tong Chen John L. Williams Cynthia D.K. Bottema Kiro Petrovski 《Journal of dairy science》2021,104(7):8164-8176
Colostrum is essential for good neonate health; however, it is not known whether different calves absorb the nutrients from colostrum equally well. In this study, the absorption of protein, IgG, and γ-glutamyl transferase was compared in newborn dairy bull calves for 1 wk after feeding colostrum from different sources. Thirty-five Holstein-Friesian bull calves were randomly allocated into 3 groups and fed colostrum within 4 h after birth. Group A calves (n = 12) were bottle fed colostrum from their own dam for 3 d. Colostrum from these group A cows was also used as foster cow colostrum for the group B calves (n = 12), such that each group A and B calf pair received identical colostrum from each milking of the respective group A dam (10% of birth weight per day). The group C calves (n = 11) were fed 1 bottle (2 L) of pooled colostrum and transition milk (referred to as pooled colostrum), as was the standard practice on the dairy farm. The pooled colostrum was collected from the other dairy cows on the farm 0 to 4 d postpartum and stored at 4°C for less than 12 h. Blood was sampled from calves before the first feeding and at 1, 2, 3, and 7 d after birth. Levels of total solids, total protein, and IgG were higher in the dam colostrum than in the pooled colostrum. At birth, there were no differences between the calf groups for any measurements, and all calves had very low IgG levels. After receiving colostrum, the glucose, plasma γ-glutamyl transferase, serum total protein, and IgG concentrations increased significantly in all calves. There were no differences in any blood measurements at any time point between the pairs of group A and group B calves that received colostrum from the same cow except for the IgG concentration 2 d after birth. However, the group A calves had a higher total serum protein level and IgG concentration than the group C calves for all the time points after the first feeding. The group B calves had a higher IgG concentration than the group C calves on d 1, 2, and 7 after birth. Compared with groups A and B, there was no difference in the proportion of calves in group C that failed to have passive immunity transferred adequately based on the IgG threshold (<10 g/L). Thus, the calves receiving identical colostrum from the same cow had the same levels of IgG, and even the pooled colostrum provided sufficient transfer of IgG as the calves were fed within 4 h after birth. 相似文献
160.
Weiguo Cao Wenjuan Li Liang Zhang Jianfa Chen Shuo Yu Zhuanghong Zhou Yun Zhang Xiaobo Shen Yingxin Tan 《International Journal of Hydrogen Energy》2021,46(52):26693-26707
The explosion venting duct can effectively reduce the hazard degree of a gas explosion and conduct the venting energy to the safe area. To investigate the flame quantitative propagation law of explosion venting with a duct, the effects of hydrogen fraction and explosion venting duct length on jet flame propagation characteristics of premixed H2-air mixtures were analyzed through experiment and simulation. The experiment results under initial conditions of room temperature and 1 atm show that when hydrogen fraction was high enough, part of the unburned hydrogen was mixed with air again to reach an ignitable concentration, resulting in the secondary combustion was easier produced and the duration of the secondary flame increased. With the increase of venting duct length, the flame front distance and propagation velocity increased. Meanwhile, the spatial distribution of pressure field and temperature field, and the propagation process and mechanism of the flame venting with a duct were analyzed using FLUENT software. The variation of the pressure wave and the pressure reflection oscillation law in the explosion venting duct was captured. Therefore, in the industrial explosion venting design with a duct, the hazard caused by the coupling of venting pressure and venting flame under different fractions should be considered comprehensively. 相似文献