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While the adsorptions of 1-propanol and 1-Br-propane at 100℃ give rise to 1-propoxy species, which mainly converted to propanal at higher temperature. IR spectrum arising from the interaction of propene with the catalyst at 100 ℃ shows the IR bands of allyl alcoholate and isopropoxy species. As the temperature was increased to 150℃, the bands ascribable to the adsorbed acetone and acrolein were observed. Based on these results, it is suggested that isopropoxy species is one of the intermediates for SOP to acrolein over MoPO/SiO〓 catalyst.

2原位IR光谱实验结果表明:200℃时丙烷/O〓混合气在催化剂表面吸附后的IR谱与同温度下异丙醇吸附的IR谱相似,均检测到吸附态丙酮物种和丙烯醛物种的IR谱峰;溴代异丙烷和异丙醇在催化剂表面吸附后均转化为异丙氧基,异丙氧基主要转化为丙烯和丙酮,丙烯进一步转化为丙烯醛;溴代正丙烷和正丙醇在催化剂表面吸附后均转化为正丙氧基,正丙氧基主要转化为丙醛;丙烯在催化剂表面吸附后转化为σ-氧烯丙基和异丙氧基,升温后σ-氧烯丙基转化为丙烯醛而异丙氧基转化为丙酮。

While the adsorptions of l-propanol and 1-Br-propane at 100 癈 give rise to 1-propoxy species, which mainly converted to propanal at higher temperature. IR spectrum arising from the interaction of propene with the catalyst at 100 癈 shows the IR bands of allyl alcoholate and isopropoxy species. As the temperature was increased to 150 癈, the bands ascribable to the adsorbed acetone and acrolein were observed. Based on these results, it is suggested that isopropoxy species is one of the intermediates for SOP to acrolein over MoPO/SiO2 catalyst.

原位IR光谱实验结果表明:200℃时丙烷/O_2混合气在催化剂表面吸附后的IR谱与同温度下异丙醇吸附的IR谱相似,均检测到吸附态丙酮物种和丙烯醛物种的IR谱峰;溴代异丙烷和异丙醇在催化剂表面吸附后均转化为异丙氧基,异丙氧基主要转化为丙烯和丙酮,丙烯进一步转化为丙烯醛;溴代正丙烷和正丙醇在催化剂表面吸附后均转化为正丙氧基,正丙氧基主要转化为丙醛;丙烯在催化剂表面吸附后转化为σ-氧烯丙基和异丙氧基,升温后σ-氧烯丙基转化为丙烯醛而异丙氧基转化为丙酮。

The pigments synthesized from 2, 7-diaminoflurenone consistently show better photosensitivity than that containing anthraquinone. A plot of the E1/2 values against the Hammett constant σ was obtained for the pigments which have different substituents in the anilide ring. The plot reveals that neither a strong electron-releasing group, such as methoxy, nor a electron-withdrawing group, such as nitro-group, enhances the sensitivity of the photoreceptor in which these pigments are used as CGL materiel.

芴酮类偶氮染料的光敏性优于蒽醌类偶氮染料,其偶合基酰胺芳环取代基为强的给电子基团或强的吸电子基团时都不利于其光敏性的提高,只有当取代基基团为氯时其表现出最好的光敏性,这一结果与Law等人的研究结果相同。

Quantitative structure-activity relationship studies showed that when the test grass was rape, their herbicidal activity was mainly related with substituent molar refractivity; when the test grass was barnyard grass, their herbicidal activity was mainly related with the electronic parameters of the substituents at the para-position of benzene ring.

定量的结构与活性关系研究表明,当作用对象为油菜时,化合物的活性可能主要与取代基R的摩尔分子折射常数有关;当作用对象为稗草时,化合物的活性可能主要与取代基R的电性参数有关。1-位为氢时,有利于对油菜生长的抑制;1-位为甲基时,有利于对稗草生长的抑制。

The results indicate, the ground state energy increased quickly as the decrease of ZnO QD radius, when the radius decreased to the effective Bohr radius of ZnO exciton (aB=1.8nm), the ground state energy is 488meV higher than the conduction band bottom, about 8 times of binding energy of ZnO free exciton. When the radius is larger, the ground state energy inclined to a constant (under conductor bottom about 65meV), approximate the binding energy of the exciton in bulk crystal ZnO.

计算结果表明,激子的基态能随着粒径的减小而迅速增大,当粒径减小至ZnO的激子玻尔半径时,其基态能高出体相ZnO禁带宽度488meV,约为ZnO自由激子结合能的8倍,而当粒径较大时,其基态能比ZnO导带底低65meV,与ZnO自由激子的结合能基本一致。

At the same time, combining with the actual condition of delivery pipeline of our country and some prevalent leak detection and location methods, this paper raised a method, which is based on wavelet analysis and negative- pressure-wave to detect and locate the leakage. Jobs in the paper are as follows:As affected by gas density, pressure, specific heat and pipe material, the velocity of negative-pressure-wave improved depending on the energy conservation. At one time, taking the affection of velocity of gas flow, the location formula was modified in some degree.When locating the leaks with location formula, the iterative approach algorithm was adopted as a new method to increase the location accuracy level of system.Multi-scale decomposition and reconstruction of wavelet transform is utilized to filter the noise of negative-pressure-wave, which was brought by leakage. With the capacity to detect the signal singularity fast and accurately, wavelet transform was used to catch the break point of pressure signal. The work improved the accuracy of At in location formula, accordingly improved the location accuracy.Wavelet is a suitable tool for signal analysis. The distinct character is that the mother-wavelet is of optional. That means choosing different mother-wavelet will get different analysis result. So we studied how to choose mother-wavelet and its scale for signal singularity detection. The method is to choose a wavelet by regularities of the wavelet and the signal.Finally, a plan, which bases on SCADA system for inspection and detection of natural gas leakage, is proposed in the article.

其中,主要进行了以下几方面的工作:针对泄漏产生的负压波在管道中的传播速度受媒介的密度、压力、比热及材质等因素的影响,而非声波在空气中传播的速度,本文利用能量守恒原理,对其进行了修正;考虑到管内气体流速对压力波速的影响,对原始的负压波定位公式进行了一定程度的改进,并在利用定位公式进行泄漏点定位时采用逐步迭代逼近算法,提高了系统的定位精度;利用小波变换的多分辨率分解和重构技术,对采集到的管道发生泄漏时产生的负压波信号进行了降噪处理;并利用小波变换技术对信号奇异点的快速、准确的识别能力,对经上述消噪后的负压波信号进行了奇异点捕捉,精确捕捉的结果提高了定位公式中上下游站点采集到的负压波奇异点的时间差△t的精度,从而进一步提高了定位的精度;考虑到小波变换是一种基波可变的信号分析工具,也就是说,不同的小波基波对信号分析的结果将有很大差别,这势必影响最终的处理结果,因此,我们又对比分析了本课题中小波基及尺度的选择问题,依据规则性系数相似性原理对母小波的选择进行了探索性研究;最后,还提出了基于SCADA的泄漏检测与定位系统的软件开发构想及系统的嵌入方案。

In order to testify our whether correction to Rossi's exchange term andthe potential of electron and nucleus is reasonable, we calculate 〓 moleculeelastic differential scattering cross section by electron impact on 100eV, ourresult is obviously better than Rossi's. Then we calculate elastic differentialscattering cross section at 150eV. In order to check the program thatcalculates molecule excitation cross section by electron impact, we calculatehydrogen excitation cross section from ground state to 〓 state at 20eVand 30eV, oxygen excitation cross section from ground state to 〓 state at15eV and 20eV. These calculations are in agreement with other theoreticresults, and experiment measure. Finally, we calculate sulfur moleculeexcitation〓 cross section by electron impact at5eV,7eV,9eV, 11eV, 13eV,15eV, and draw curve of excitation total crosssection corresponding to incident electron energy.

为了核对我们修改的计算激发态的程序是否正确,计算了电子与氢分子碰撞从基态激发到〓态入射能量分别为20eV和30eV时的微分截面以及电子与氧分子碰撞从基态激发到〓态入射能量分别为15eV和20eV时的微分截面,与别人的理论计算结果、实验的测量值基本一致,最后计算了电子与硫分子在5eV、7eV、9eV、11eV、13eV、15eV时的碰撞激发〓截面,作出了电子的入射能量与激发总截面的关系曲线,找出了总截面最大时对应的电子入射能量大约是11电子伏。

The radical scavenging activity of Laminaria japonica pigments was studied by the DPPH2,2-Diphenyl~(-1-picrylhydrazylassay. The total pigments showed a strong DPPH radical scavenging activity of 65.819% with the concentration of 0.52mg.ml~(-1). The DPPH radical scavenging activity of fucoxanthin was 19.85% with the concentration of 0.27mg.ml~(-1). The antimicrobial activity of pigment in Laminaria japonica was studied by the method of round paper. The results showed that the pigment extracts have activity against Escherichia coli, Pseudomonas aeruginosa, Saricina flava and Saccharomyes cerevisia. The antibacterial activity of total pigments for Saccharomyes cerevisia was the strongest with an inhibition diameter of 18.9 mm; and the antibacterial activity of fucoxanthin for Saricina flava was also much significant with an inhibition diameter of 10.2 mm.

测定了它们对自由基的清除率和对四种细菌的抑菌效果,研究结果表明,总色素和褐藻黄素的浓度与自由基清除率成正比,当总色素浓度为0.52mg.ml~(-1)时,清除率达到65.819%,高于陆生植物黑米色素和紫甘薯色素;当褐藻黄素浓度为0.27mg.ml~(-1)时,自由基清除率达到19.85%,低于紫苏色素、紫甘蓝色素、黑米色素、紫甘薯色素;对大肠杆菌、绿脓杆菌、八叠球菌、金黄葡萄球菌的抑菌实验结果显示,海带总色素对金黄葡萄球菌的抑菌活性最强,抑菌圈直径为18.9mm;褐藻黄素对八叠球菌的抑菌活性相对较强,抑菌圈直径为10.2mm。

Experimental results show that the different substituted location and different substituted group on benzene cycle would result in the diversity of reduction properties of substituted aryl nitrobenzene. Substituted nitrobenzenes with withdrawing group will be reduced at more positive potential, while those with repelling group will be reduced at more negative potential. In addition, the reduction potential of nitro group of o-nitrobenzene shifts more negative due to the effect of space resistance.

结果表明,芳族硝基化合物在苯环上的取代基位置不同以及在相同位置上取代基的种类不同均可使各芳族硝基化合物的电还原性能发生较大差异:吸电子取代基在电还原过程中电位较正,推电子取代基的电还原电位较负:邻位取代基在反应过程中由于空间位阻效应,苯环上的硝基在电还原时电位往负方向移动。

HNC_2H_4S C_(12H_(25)_2·CrCl_3 and Et_2ZrCl_2 were supported on SiO_2 and the effects of different supporting strategies on trimerization selectivity, 1-hexene incorporation efficiency and copolymerization activity were studied and compared to the homogeneous system.

当R基为-C_2H_5时,1atm下65℃时活性最高可达550kg hexene/,提高反应压力有助于得到更高的活性,但是会降低催化剂的选择性;当R基为-C_(12)H_(25)时,1atm下75℃时活性最高可达450kg hexene/。

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