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The average relativeerror was 3.63%, less much than mostly used group-contribution methods for alkyne, chlorine derivative, iodine derivative, especially for alkane, bromine derivative, aromatic hydrocarbon, alicyclic hydrocarbon and sulfur-containing organic compounds.

对4068种有机物的正常沸点进行了估算,其平均相对误差为3.63%,总体估算精度明显优于相比较的基团贡献法,对炔烃、氯衍生物、碘衍生物,尤其是对烷烃类、溴衍生物、烃、脂环烃和含硫化合物的估算误差明显减小。

Recent progresses in thermodynamic study on the coordination of calixcrowns to alkali metal ions are introduced in the paper.

概要介绍了杯冠醚与碱金属离子配合的热力学研究方面的最新进展,较为系统地分析了选择性与热力学参数之间的相关性,得出了一般规律。

Based on the pioneers' research work, the theoretical calculations have been performed on the interactions between the alkaline earth ions and aromatic systems.

在前人研究一价离子的基础上,进一步研究了金属离子,特别是碱土金属离子与环体系的相互作用。

Arenedisulfonates have much stronger coordination ability to alkali, alkaline earth than to transition metal ions.

烃二磺酸根离子与碱金属离子和碱土金属离子的配位能力比过渡金属离子强。

Some typical oxidation reactions of alkane ,olefin,and arene in supercritical CO2(scCO2)are introduced in this review.

介绍了有关烷烃、烯烃、烃化合物在超临界CO2介质中进行的氧化反应。

The addition of alkyl groups to PAHs enhances the carcinogenic potential of these compounds.

烷烃加在多环烃上的系列会提高这些化合物的致癌作用。

In the thesis alkylate and bridging resorcarenes were used as CGC SP. Their chromatographic character were studied.

将烷基化和桥联的间苯二酚杯烃用作气相色谱固定相,考察了色谱性能,对普通化合物表现出良好的分离能力,尤其是对香族位置异构体有良好的分离作用。

These results indicated that the separation of the alkylate and the ionic liquids was easy and the loss of aromatics out from the catalysts was inevitable.

实验结果显示烷基化产品与催化剂分离方便,但烃助剂的流失不可避免。

Combining the performance evaluation (activity, selectivity and stability) and the characterization of the catalysts (XRD, TPD, FTIR and the pore structure measure), it can be concluded that :(1)The activity of modified β is higher than MCM-22, but the selectivity of ethylbenzene is lower about 3% than that of MCM-22;(2)The mounts of diethylbenzene and the other by-products are higher 1.7 times and 1.5 times than these of MCM-22 respectively;(3)The catalytic performance of zeolite mixture is nearly equal to modified β, but the selectivity of ethylbenzene is higher about 0.5% than that of modified β;(4)The catalytic activity of zeolite is mainly correlated with the number of acid sites, strength and distribution, and the distribution of products is determined by the binding energy of ethylbenzene and the pore structure, while the stability of catalyst is affected by the amount of poly-ring aromatic alkylate and the pore structure.

以性能评价和特性表征(XRD、TPD、FTIR和孔结构测定)相结合的方式,对上述三种催化剂性能比较的结果表明:(1)改性的活性明显高于MCM-22,但乙苯选择性却低于MCM-22绝对差约3%;(2)改性(上二乙苯和其他副产物的生成量分别约为MCM-22上对应值的1.7和1.5倍左右;(3)混合型催化剂的性能与改性相仿,但乙苯选择性提高0.5%左右;(4)对乙苯合成,沸石催化剂的活性主要取决于其B酸中心数、酸强度及酸分布,产物分布则取决于催化剂表面的乙苯脱附能垒值和孔道结构,而稠环烃的生成量和催化剂孔道结构是影响催化剂稳定性的主要因素。

Synthesis of Arylenealkyne Conjugated Macrocycles Containing Long Alkylene Bridge;2. Rigid,planar structures have been modified through incorporation of new additional groups to generate sharp-persistent imine macrocycles in very high yields.

我们设计并合成了一类氢键诱导下构象受限的酰胺寡聚体,以此模块作为前体,利用动态共价键的方法,高产率(80%-89%)地合成了一系列新的亚胺大环。

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