It was well known that solvent effect plays a very important role in the catalytic reaction. There are many theoretical studies on the solvent effect in homogeneous catalysis while there are few theoretical studies on the solvent effect in the heterogeneous catalytic reaction and there has been no work to investigate the solvent effect on furfural transformation in heterogeneous catalysis. In the present work, both the density functional calculations and the microkinetic analysis were performed to study the selective hydrogenation of furfural over Pt(111) in the presence of methanol as well as toluene and compared with that in the gas condition. The present results indicated that the methanol can enhance the adsorption strength of furfural and other oxygen-containing reaction species due to its relatively strong polarity properties and this can be a main reason for solvent-induced high activity and selectivity. Another reason is that reaction paths study showed that the presence of methanol solvent makes the dehydrogenation of furfural less thermochemical due to the fact that furfural is more stabilized than that of dehydrogenation species, and methanol also has an inhibition effect on the dehydrogenation of furfural in the kinetic aspect, and further energetic span theory proves highest activity and selectivity for hydrogenation in methanol solvent of vapor, methanol and toluene. Moreover, microkinetic model simulation demonstrated that the activity and selectivity of hydrogenation in methanol is both higher than that in vapor and toluene. The much higher activity in methanol is due to the stabilized adsorbed reactants in the surface, which leads to a higher surface coverage of furfural. It might be proposed based on the present work that a solvent with relatively strong polarity may be favorable for the high selective hydrogenation of furfural. 相似文献
As per the most recent literature, Orthogonal Frequency Division Multiplexing (OFDM), a multi access technique, is considered most suitable for the 3G, 4G and 5G techniques in high speed wireless communication. What made OFDM most popular is its ability to deliver high bandwidth efficiency and superior data rate. Besides it, high value of peak to average power ratio (PAPR) and Inter Carrier Interference (ICI) are the challenges to tackle down via appropriate mitigation scheme. As a research contribution in the present work, an improved self-cancellation (SC) technique is designed and simulated through Simulink to mitigate the effect of ICI. This novel proposed technique (Improved SC) is designed over discrete wavelet transform (DWT) based OFDM and compared with conventional SC scheme over different channel conditions i.e. AWGN and Rayleigh fading environments. It is found that proposed DWT-OFDM with Improved SC scheme outperforms conventional SC technique significantly, under both AWGN and Rayleigh channel conditions. Further, in order to justify the novelty in the research contribution, a Split-DWT based Simulink model for Improved SC scheme is investigated to analyse the BER performance. This Split-DWT based Simulink model presented here foretells the future research potential in wavelet hybridization of OFDM to side-line ICI effects more efficiently.
Journal of Computer Science and Technology - DOACROSS loops are significant parts in many important scientific and engineering applications, which are generally exploited pipeline/wave-front... 相似文献
Bismuth doped La2-xBixNiO4+δ (x = 0, 0.02 and 0.04) oxides are investigated as SOFC cathodes. The effects of Bi doping on the phase structure, thermal expansion, electrical conduction behavior as well as electrochemical performance are studied. All the samples exist as a tetragonal Ruddlesden-Popper structure. Bi-doped LBNO-0.02 and LBNO-0.04 have good chemical and thermal compatibility with LSGM electrolyte. The average TEC over 20–900°С was 13.4 × 10?6 and 14.2 × 10?6 K?1 for LBNO-0.02 and LBNO-0.04, respectively. The electrical conductivity was decreasing with the rise of Bi doping content. EIS measurement indicates Bi doping can decrease the ASR values. At 750 °C, the obtained ASR for LBNO-0.04 is 0.18 Ωcm2, which is 56% lower than that of the sample without Bi doping, suggesting Bi doping is beneficial to the electrochemical catalytic activity of LBNO cathodes. 相似文献
Among various carbon materials, diamond stands out due to excellent physical and chemical properties. In this work, we designed Dia@SiO2@Ag composites combining diamond micropowder and Ag nanoparticles by a simple chemical method and obtained stable substrate for surface enhanced Raman scattering (SERS) owing to its high surface-to-volume ratio, low density, as well as close bond between diamond and Ag. As-prepared Dia@SiO2@Ag presented high activity to detect crystal violet and rhodamine 6G molecules, which was demonstrated by significantly enhanced SERS spectra and high enhancement factor values (108-109). Moreover, Dia@SiO2@Ag also showed desired sensitivity, which was investigated by detection limit. Therefore, our study provided more theoretical support and broadened the functional applications of diamond, particularly in Raman detection. 相似文献