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High reaction performance and decoking ability were obtained in gas-phase oxidative cracking of decalin , as compared with its pyrolysis reaction.

十氢萘气相氧化裂解与传统的热裂解工艺相比,O2的存在降低了十氢萘 GOC反应的活化能,使反应在较低温度下具有高的反应性能;O2同时起到消除积炭的作用,提高体系的抗积炭能力。

The two rate equations fitted the experimental data well,as was confirmed by the reaction of bis(4-carboxyphenyl)phenyl phosphine oxide with ethylene glycol under constant reaction temperatures of 180197℃ and at different ratios of diol to diacid,whose rate constant and activation energy were calculated.

将这两个速率方程应用于双苯基氧化膦与乙二醇的恒温自催化聚酯化反应,计算值与实验数据相一致,并计算得到了该反应的速率常数和活化能

The third part of this thesis is reactive simulating calculation In this section, some well-known auxiliaries are selected to compute in density functional theory B3LYP on Gaussian 03, from which the relationship between reaction active energies of transition states and enantiomeric excess of chiral products homoallylic alcohols isobtained based on relative reactive ratio theory. Using this relationship, calculations on the reaction of more than eight auxiliaries with four other aldehydes are carried out in AMI and MNDO, proving that N,N\'-dibenzyl tartamide has higher enantioselectivity than others in this reaction.

第三部分为计算化学部分,运用密度泛函理论B3LYP方法在Gaussian03软件上对已经报道的几种手性配体参与的醛不对称烯丙基化反应过程进行模拟计算,基于相对反应速率理论找出两种构型过渡态间活化能的差异与产物光学收率之间的关系;并以此为基础,用AM1和MNDO方法对上述合成的几种配体控制的反应过程进行量化计算,从而在理论上证实了N-苄基酒石酸二酰胺配体在醛的不对称烯丙基化反应中具有较高的立体选择性。

Cm^2 of nitromethane electroreduction appeared at -0.89 V and the reaction activation energy was 12.3 kJ/mol.

SCE时,硝基甲烷还原为甲基羟胺的电流达14.9mA/平方公分,其反应表观活化能为12.3kJ/mol。

The calculated result shows that three reactions belong to exothermal reactions.And the decomposition activation energy in the HF catalyst is the smallest , the decomposition of H2CO3 in the role of HF is the most easily.

计算结果表明3 个反应都是放热反应,且分解反应的活化能在HF 催化作用下最小,说明H2CO3 的分解在HF 作用下最容易进行。

The activation energy for crystal growth,Ec=190.6kJ.mol-1, and the kinetic parameter m=3 were evaluated by DTA and kinetic method. The main crystal phase of glass ceramic is hedenbergite and has good strength property.

结果表明,当TiO2含量小于10%时仅产生表面晶化,而当TiO2含量为10%时可发生整体晶化,其活化能为190.6kJ.mol-1,动力学参数m=3,晶体从晶核界面呈三维生长。

In the heterolytic electrophilic substitution, the stability of the intermediate strongly affects the activation energy.

P101 在异裂亲电取代反应中,中间产物的稳定性对反应活化能有很大影响。

The effects of the surfactants, trioctyl phosphine oxide, sodium dodecyl sulfonate and hexadecyl trimethyl ammonium bromide, on the extraction rate of Co^2^+ were investigated. The acceleration in the kinetics in contributed to the associated molecule~2 TOPO taking part in the extraction process directly. The decrement effects of SDS or CTMAB on the rate of extraction kinetics of Co^2^+ with HDEHP were also observed, which caused by the adsorption of molecules of SDS or CTMAB on the interface and decreased the interfacial adsorption amount of HDEHP. In addition, the extraction rate was reduced by a bigger margin in HDEHP-SDS system. This can be explained in terms of the formation of an electric field at the interface.

研究体系中加入不同表面活性剂所引起萃取速率的不同改变:三辛基氧化膦因与HDEHP形成可萃取的Co^2^+活性分子缔合物,降低了萃取过程活化能而使反应加速;十二烷基磺酸钠和十六烷基三甲基溴化铵因占据发生萃取反应的界面区,减小了HDEHP与Co^2^+反应的机会而使反应减速; SDS还因其在界面形成较强的负电场,造成Co^2^+的附加势能而使萃取速率有更大幅度的降低。

Considering a spherical porous carbon particle immersed in a static ambient atmosphere, the combustion characteristics under three basic conditions: frozen flow, equilibrium flow, partial flow are solved in a half-analytical and half-numerical way. By using the LAEA (Large Activation Energy Asymptotic Method), the departure value of some parameters such as combustion rate, temperature, and concentration are obtained. On this basis, the rules of a carbon particle combustion under various conditions when the gas phase Damk〓hler number is in the range of 0,+∞ are summarized.

建立氧化性环境中相对静止的多孔炭粒燃烧的控制方程,采用半解析、半数值方法求解出炭粒在冻结流、部分流、平衡流三种基本情况下的燃烧规律,并采用大活化能渐近匹配方法,计算出偏离冻结流、偏离平衡流情况下燃烧速率、温度及组分浓度等参数的偏离解,进而总结出炭粒在气相Damk〓hler数为0,∞整个范围内燃烧特性变化规律。

The good catalytic performances were obtained on those catalysts supported by SiO_2. With the increasing calcination temperature from 300℃to 700℃, Co_3O_4 particles augmented and sintered on the samples surface which contained 10 wt.% cobalt, the crystallite size of Co_3O_4 was aggrandized from 7.2 nm to 20.3 nm by inchmeal. On the other hand, the activation energy for the combustion reaction was increased linearly with the augment of average crystallite size of Co_3O_4, the TOF value on prepared catalyst was decreased with it. Thus, the catalytic combustion was a typical structure-sensitive reaction.

在钴含量为10 wt%的样品上,随着焙烧温度由300℃提高到700℃,钴物种出现迁移团聚甚至烧结,在XRD中测定的Co_3O_4晶粒尺寸由7.2 nm逐步增加至20.3 nm;另一方面,催化剂的燃烧活化能随样品上Co_3O_4晶粒的平均尺寸增加而呈现线形增加趋势,而单位时间内单位活性物种上的甲烷转换频数随着粒径增加而逐渐降低,这一现象证实了该反应属于典型的结构敏感反应。

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