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1.
反式-1-氯-3, 3, 3-三氟丙烯 (HCFO-1233zd (E))是近年来正在研发的第四代发泡剂,其大气臭氧消耗潜能值为0.00024,温室效应潜能值为7.0,毒性低,常态下不燃,使用安全;它也是合成含氟精细化工品的中间体,以及合成氟树脂和氟弹性体的单体。本论文制备了Al,Zn,Co改性的Cr2O3催化剂,将其成功应用于1, 1, 3, 3-四氯丙烯(HCC-1230za)与氟化氢反应中,高选择性地合成HCFO-1233zd (E),复合催化剂Zn / Cr2O3显示高稳定性,其中HCC-1230za转化率高达99.4%,HCFO-1233zd(E)的选择性高达98.2%。反应条件诸如反应物HF / HCC-1230za 的摩尔比和反应温度等对产物分布有显着影响。在相对较低的温度(200?C)和较大的HF / HCC-1230za 摩尔比(10:1)下,对HCFO-1233zd(E)的选择性有利。通过XRD,XPS,BET和V70吡啶吸附红外光谱技术对复合催化剂Zn / Cr2O3进行了表征。 XRD结果表明,催化剂中大多数无定形Cr2O3和高度分散微晶相Cr2O3共同导致催化剂的高活性和高稳定性。HCC-1230za的转化率与预氟化处理催化剂Zn / Cr2O3的比表面积有关,催化剂的比表面积越高,催化活性越高。XPS光谱表明,在预氟化过程中,表面铬氧化物可能与F原子强烈相互作用,从而导致Cr原子的化学环境发生广泛变化。V70吡啶吸附红外光谱和氨-程序升温脱附技术结果证明尚未失活的催化剂Lewis 酸和Br?nsted酸中心的数目和强度与新制备的催化剂相比明显提高。  相似文献   
2.
HF/DF激光器是中红外波段能提供最高能量输出的激光光源,也是中红外波段应用非常广泛的相干光源。本文介绍了近几年国内外关于非链式HF/DF激光器的研究进展及其成果应用,分析了非链式HF/DF激光器在应用方面的优缺点,总结了实现非链式HF/DF激光输出的关键技术和存在的问题,指出了该技术的未来发展方向。  相似文献   
3.
Recently, we proposed a simple yet efficient method for the computation of a long-range corrected (LC) hybrid scheme [LC-DFT(2Gau)], which uses a modified two-Gaussian attenuating operator instead of the error function for the long-range HF exchange integral. This method dramatically reduced the computational time while maintaining the improved features of the LC density functional theory (DFT). Here, we combined an LC hybrid scheme using a two-Gaussian attenuating operator with one-parameter progressive correlation functional and Becke88 exchange functional with varying range-separation parameter values [LC-BOP(2Gau) with various μ values of 0.16, 0.2, 0.25, 0.3, 0.35, 0.4, and 0.42] and demonstrated that LC-BOP(2Gau) reproduces well the thermochemical and frontier orbital energies of LC-BOP. Additionally, we revised the scaling factors of the Gaussian multipole screening scheme for LC-DFT(2Gau) to correspond to the angular momentum of orbitals, which decreased the energy deviations from the energy with the no-screening scheme. © 2018 Wiley Periodicals, Inc.  相似文献   
4.
5.
Molecular structure and vibrational spectroscopic studies of higher homologous series nematogenic p-n-alkylbenzoic acids (nBAC) that have 6 (6BAC) and 7 (7BAC) carbon atoms in the alkyl chain have been investigated using the Density Functional Becke3-Lee-Yang-Parr (B3LYP) level with the basis set 6-31++G (d.p) and Hartree Fock (HF) with the same basis set. The observed vibrational spectra has been resolved and assigned in detail for comparision with both the molecules. These results indicate that DFT and HF values are slightly different at both the levels. A comparision of chemical reactivity such as HOMO (EH), LUMO (EL) energies, energy gap (Eg), ionization energy (I), electron affinity (A), electro negativity (χ), chemical hardness (η), electronic chemical potential (μ), electrophilicity index (ω), and softness (S) has been made. It has been observed that the decrement has occurred in the energy band gap value of isolated molecule with increment in alkyl chain length. This provides valuable information regarding enhancing the stability of liquid crystal materials by maintaining the conductivity.  相似文献   
6.
The very strong Lewis acid aluminium chlorofluoride (ACF) was loaded with anhydrous HF. The interaction between the surface of the catalyst and HF was investigated using a variety of characterization methods, which revealed the formation of polyfluorides. Moreover, the reactivity of the HF-loaded ACF towards the hydrofluorination of alkynes was studied.  相似文献   
7.
Direct RF sampling receiver – a fully digital receiver architecture – undoubtedly becomes a favored choice for HF/VHF as this approach inherently bypasses the legacy nonlinearities caused by analog components. In DRF-RF and wideband multichannel in general, LNA is still an indispensable component to ensure the receiver’s sensitivity. However, with the presence of multiple channels, the total RF power often surpasses the linear threshold that LNA and the amplified signal become severely distorted. This paper proposed a method for mitigating the LNA distortion using the look-up table (LUT) approach. Specifically, our receiver is designed with two modes of operation. In training mode, a built-in signal circuit generates a training signal for extracting the LNA characteristic and eventually reconstructs the inverse LNA nonlinear model in the form of a LUT memory. During the receiving mode, a linearization circuit reverses the distortion impact by matching the RF power level with the inverse nonlinear model pre-stored in the LUT. The effectiveness of the proposed distortion compensation method first is evaluated by a MATLAB simulation with a multi-channel DRF-RF model. The simulation results show that the proposed approach significantly improved the SNDR for the channel of interest. Furthermore, the model has been practically verified, where the actual distorted signals are sampled from a commercial LNA (ZFL-500LN+) by a customized FPGA board. Results from measurements show an improvement of 7 dB for SNDR and 27% for EVM in a strong distortion scenario of QPSK modulation signal.  相似文献   
8.
Flunitrazepam (FNZ) is a potent hypnotic, sedative, and amnestic drug used to treat severe insomnia. In our recent study, FNZ metabolic profiles were investigated carefully. Six authentic human urine samples were purified using solid phase extraction (SPE) without enzymatic hydrolysis, and urine extracts were then analyzed by liquid chromatography‐Q exactive‐HF hybrid quadrupole‐Orbitrap‐mass spectrometry (LC‐QE‐HF‐MS), using the full scan positive ion mode and targeted MS/MS (ddms2) technique to make accurate mass measurements. There were 25 metabolites, including 13 phase I and 12 phase II metabolites, which were detected and tentatively identified by LC‐QE‐HF‐MS. In addition, nine previously unreported phase II glucuronide conjugates and four phase I metabolites are reported here for the first time. Eight metabolic pathways, including N‐reduction and O‐reduction, N‐glucuronidation, O‐glucuronidation, mono‐hydroxylation and di‐hydroxylation, demethylation, acetylation, and combinations, were implicated in this work, and 2‐O‐reduction together with dihydroxylation were two novel metabolic pathways for FNZ that were identified tentatively. Although 7‐amino FNZ is widely considered to be the primary metabolite, a previously unreported metabolites (M12) can also serve as a potential biomarker for FNZ misuse.  相似文献   
9.
In the present work, an extended Hulburt–Hirschfelder oscillator model is proposed as a means of simplifying potential energy functions for direct‐potential‐fit analyses. The new potential energy function is joined smoothly to the long‐range inverse‐power dispersion energy expression. The new model is employed in direct‐potential‐fits using spectroscopic line positions that involve the ground electronic states of the principal isotopologues of hydrogen iodide and carbon monoxide, and the ground and first singlet‐sigma excited states of hydrogen fluoride and hydrogen chloride. The present methodology is found to lead to compact, flexible, and robust representations for the potential energy that compare favorably with the results of past work where more complicated models were employed.  相似文献   
10.
毛媛  郭立新  丁慧芬  刘伟 《物理学报》2012,61(4):44201-044201
通过高频雷达一阶多普勒谱与海上风向的关系, 提出了一种基于神经网络和多波束采样法相结合预测海面风向的新方法. 在神经网络不同输入、输出参数情况下对扩展因子为奇数时的仿真数据进行了风向预测, 并在扩展因子为偶数时结合多波束采样法进行风向预测, 消除了风向的模糊性. 通过预测数据和仿真数据对比, 发现两者符合较好. 从神经网络和多波束采样法相结合的预测结果中可以看出, 风向的误差大约为4°—6°, 风向扩展因子的平均误差为0.26, 为预测海面风场的研究提供一种新的思路和方法.  相似文献   
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