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Progress on preparation and purification of trichlorosilane ;2. Study on synthesis of trifluoropropyl trichlorosilane ;3. The alcoholysis of trichlorosilane has been studied experimentally and theoretically,each step is cooperating endothermic process.

采用溶剂法和B3LYP/6-31G基组研究了三氯硅烷的乙醇解反应,计算得出每一步醇解均为放热反应,并得出了反应的最佳温度、最佳进样方式、主反应和副反应的活化能及其可能的反应途径曲线。

To study the performance of inorganic composite catalyst for the SPC oxidation of p-methyl anisole, Cu2-Co2-KBr is used as catalyst of sodium percarbonate oxidation for p-methyl anisole synthesized by paracresol methylating. Effect of reaction conditions, such as the factors of catalyst composition, catalyst quantity, solvent, reaction temperature and time on oxidation of p-methyl anisole, is investigated.

研究了无机复合催化剂催化SPC氧化对甲基苯甲醚的反应性能:以Cu2-Co2-KBr为催化剂,利用过碳酸钠氧化对甲酚甲基化产物对甲基苯甲醚,系统研究了催化剂组成比例、催化剂用量、溶剂、反应温度、反应时间等因素对反应的影响。

Synthesis of isopropyl chloroacetate catalyzed by acidic ionic liquids was studied,including influences of different ionic liquids,reaction temperature,reaction time and quantity of ionic liquid.

研究了功能化酸性离子液体催化合成氯乙酸异丙酯的反应,考察了不同离子液体、反应温度、反应时间和离子液体与反应物物质的量比等对反应的影响。

The results show that among the acetoacetonate complexes,Co_3 has the best catalytic activity.The optimum reaction conditions were as follows:0.764 mmol of Co_3,mole fraction of ethanal 10%based on the substrate,room temperature,oxygen pressure 2 MPa,reaction time 11h and solvent acetonitrile.Under these conditions,13.3%p-chlorobenzaldehyde was obtained with 15.3%conversion and 87.2%selectivity.The oxidation can also be carried out without solvent with 8.1%conversion,89.1%selectivity and 7.2%yield respectively.

在金属配合物中Co_3的催化性能最好,在其用量为0.764 mmol、乙醛用量为反应物物质的量的10%、氧气压力为2MPa时,以乙腈为反应介质,室温下反应11h,反应的转化率和选择性可达15.3%,87.2%,对氯苯甲醛收率可达13.3%;反应也可在无溶剂时进行,此时反应的转化率、选择性及醛的收率分别为:8.1%,89.1%,7.2%。

The results show that the optimal parameters of esterification are as follows: 4% of SO42-/ZrO2, molar ratio of methanol to litsea cubeba kernel oil 101, 68 ℃ of reaction temperature and 4 h of reaction time, the acid value decreases to 2.52 mg/g. Compared with the traditional acidic-catalyzed method, this method has the advantages of no acid proof equipment, easy to recycle catalyst and no acidic waste water emission. The optimal parameters of transesterification are as follows: 25 ℃ of reaction temperature, 0.5% of hexadecyl-trimethyl-ammonium bromide, 1% of NaOH, molar ratio of methanol to the oil 61 and 15 min of reaction time. The ester exchanging rate is 97.6%. This method adopts phase transfer catalyst and produces industry prospect, which has many advantages such as energy-saving and time-saving under room temperature.

研究结果表明,固体酸SO42-/ZrO2催化酯化反应的最佳条件为:油重4%的SO42-/ZrO2,醇油摩尔比为101,温度为68 ℃,反应时间为4 h,原油酸值降到2.52 mg/g;该法相对浓硫酸催化酯化法具有不需耐酸设备、催化剂易回收、无废水排放等优点;相转移催化酯交换反应的最佳条件为:温度为 25 ℃,0.5%的十六烷基三甲基溴化铵,油重1%的NaOH,醇油摩尔比为61,反应15 min,原油酯交换率达到97.6%;采用相转移催化技术,反应在常温下进行,大大减少了能耗,缩短了反应时间,具有的产业化前景。

The experimental results showed that, monochloroacetic acid and dichloroacetic acid enhanced photocatalytic hydrogen generation activity, but trichloroacetic acid did not improve it. The amount of produced H_2 increases almost proportionally to the irradiation time within 5 h irradiation. The photocatalytic oxidation of monochloroacetic acid and dichloroacetic acid mainly produced CO_2, HC1 and CH_2O, the photocatalytic oxidation of trichloroacetic acid mainly produced CO_2 and HCl.

实验表明,一氯乙酸、二氯乙酸的存在明显地提高了制氢反应效率,而三氯乙酸的存在却不能起到促进作用;反应5h内,反应生成氢的量与反应时间成线性关系;一氯乙酸、二氯乙酸光降解产物主要是CO_2、HCl和CH_2O,三氯乙酸光降解产物主要是CO_2和HCl;研究了溶液pH值对放氢反应的影响;在实验浓度范围内,一氯乙酸、二氯乙酸浓度对放氢反应的影响,表观上符合Langmuir-Hinshelwood关系式;考察了一氯乙酸、二氯乙酸在光催化剂表面的吸附。

Firstly, the reaction thermodynamics was analyzed. Then, the reaction mechanism was studied, and the results are as following:① Ca moves to the surface of Dy〓O〓 by vapor phase;② Dy〓O〓 reduced to Dy by Ca is fast;③ Dy moves to the Fe surface mainly by vapor and various Dy-Fe alloys are produced gradually;④ The forming process of DyFe〓 may be described by Contracting Core Model;⑤ The rate-controlling step of the reaction is the Dy diffusing toward contracted and nonreaction nuclear center Fe.

首先考察反应的热力学可能性;其次探讨反应机理;通过实验确定:①Ca主要以气态形式迁移到Dy〓O〓表面参与反应;②Dy〓O〓被Ca还原为Dy的速度很快;③Dy主要以气态形式迁移到Fe表面逐级生成Dy-Fe合金;④DyFe〓的形成过程可以应用收缩核模型来描述;⑤Dy通过DyFe〓产物层向缩小的未反应核中心Fe的扩散是反应的控速步骤,通过动力学计算确定:还原扩散反应的表观活化能E〓=45kJ/mol。

The experimental results show that the molar ratio of carbon monoxide to carbon dioxide in the reacting mixture is frequently equal to unity hence the reaction scheme may be stoichiometrically represented as follows

实验证明:反应气体中一氧化碳与二氧化碳的摩尔比接近于1;苯氧化生成顺酐的反应是并串联反应,各反应级数均为准一级;并求出了各反应的活化能和指前因子。

Studies on the trinitration of toluene showed that, the trinitration temperatures were high enough to intensify oxidation, and the two thermal hazard evaluation methods mentioned above couldn\'t evaluate the situation well. Results were found from the reaction calorimeter experiments that lower reaction temperature and decelerating dosing rate could prevent thermal accumulation and decrease thermal hazard efficiently.

在对三段硝化反应进行热危险性评估时发现,三段硝化反应的温度很高,氧化副反应随温度升高而加剧,风险矩阵法和失控情景分析方法难以准确评估该情况下的热失控危险,但实验结果表明降低反应温度,减缓加料速率能有效地防止热积累,减小反应过程中的热危险性。

The traditional technology of iron carbide production exists the problem that the reaction time is too long. The research of adding the additive into the ore of the fluid-bed was carried out in order to find the catalyst of this reaction. It was found out that K2CO3 and CaCl2 can be the catalysts of this reaction. The reacting time and equilibrium data in addition of K2CO3 and CaCl2 were examined and were campared with the contrastive experimental results respectively. The theoretical dynamics analysis also reveals that both K2CO3 and CaCl2 can accelerate the iron carbide forming reaction.

摘 要:传统的碳化铁生产工艺存在反应时间较长的难题,为此通过在流化床入炉矿石中配加部分添加剂的还原实验研究,以寻求该反应可能的催化剂,缩短反应时间,提高碳化铁生产效率和经济效益采用CaCl2和K2CO3作为反应的催化剂,利用反应所测数据,与对比实验相比较,并结合动力学分析,得出CaCl2和K2CO3可以加速碳化铁还原反应进行的结论。

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