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the formation enthalpies
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  形成焓
     The formation enthalpies of the hypothetical hydrides TiFeLa_yH_(1.0), were also calculated after Miedema's formulae and compared with the experimental results.
     此外,我们还根据Miedema公式计算了TiFeLa_yH_(1.0)的形成焓,并与实验值作了比较。
短句来源
     Miedema theory was applied to study systematically the mixing enthalpies of liquid and the formation enthalpies of solid for binary alloys,which are composed of Aluminium and Alkaline metals Li, Na, K, Rb, Cs.
     本文运用Miedemal理论系统地研究了铝与碱金属Li、Na、K、Rb、Cs组成的二元合金系统的液态混合焓和固态合金形成焓
短句来源
     The formation enthalpies of the three equilibrium phases AlLi,Al_2Li_3 and Al_4Li_9 of Al-Li alloys were calculated using the first-principles pseudopotential plane wave method and the results showed that the formation enthalpy of AlLi phase was the minimum,indicating that the preferential resultant after Li~+ inserting into Al electrode should be AlLi.
     利用第一原理赝势平面波方法计算了Al-Li合金中3种平衡相AlLi、Al2Li3和Al4Li9的形成焓,得出AlLi相的形成焓最低,表明当Li+嵌入Al电极时,优先形成AlLi相。
短句来源
     and that the formation enthalpies of Ti-and-fcc-transition-metals binary alloys system calculated by the model of AEAM theory is resonable.
     从而说明,普适AEAM模型理论在研究Ti与fcc金属组成的二元合金的系统形成焓时是合理的.
短句来源
     In this paper, the formation enthalpies of the final phases presented in annealed contacts composed of transition metals (Pd, Pt, Ni, Ir, Rh, Co, Ti, Cr, V, Zr) and GaAs are calculated by using Miedema's semi-empirical model. Furthermore, the free energies of reaction both for the formations of the final phases and for the decompositions of the final phases containing As are calculated.
     本文利用Miedema半经验模型计算了Pd,Pt,Ni,Ir,Rh,Co,Ti,Cr,V,Zr与GaAs反应的最终产物的形成焓,从而计算了这些反应以及最终产物中含As相的分解反应的自由能。
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  形成焓来
     This paper describes how to compare the strength of Lewis acids and bases quan -titatively by the formation enthalpies of acid-base reactions and how to estimate if qualitatively with the electronic and steric effects of substituents.
     本文介绍了如何从酸碱反应的形成焓来定量比较Lewis酸碱的强度,以及如何从取代基的电子效应和空间效应来定性估计Lewis酸碱的强度。
短句来源
  形成焓时
     and that the formation enthalpies of Ti-and-fcc-transition-metals binary alloys system calculated by the model of AEAM theory is resonable.
     从而说明,普适AEAM模型理论在研究Ti与fcc金属组成的二元合金的系统形成焓时是合理的.
短句来源
  “the formation enthalpies”译为未确定词的双语例句
     Using Miedema theory and geometrical model, the formation enthalpies of the binary alloys system La M Ni M(La,Co,Mn,Al,Cr,Fe,Cu,Ga) and rare based hydrogen storage ternary alloys systems LaNi 5- x M x (M=Co,Mn,Al,Cr,Fe,Cu,Ga) are investigated. The calculation results are consistent well with the experimental values available.
     利用 Miedema理论和几何模型计算了合金 La- M,Ni- M( M=La,Ni,Co,Mn,Al,Cr,Fe,Cu,Ga)和稀土系贮氢三元合金系统 La Ni5- x Mnx( M=Co,Mn,Al,Cr,Fe,Cu,Ga)的生成焓 ,计算结果与已有实验结果符合得较好 .
短句来源
     Miedema theory and geometrical model were used to calculate the formation enthalpies of binary alloys La M, Ni M and ternary hydrogen storage alloys LaNi 5- x M x (M=Co, Mn, Cr, Fe, Cu, Al).
     利用Miedema理论和几何模型计算了二元合金系La M ,Ni M和三元合金系LaNi5-xMx(M =Co ,Mn ,Al,Cr ,Fe,Cu)的生成焓。
短句来源
     The result shows that the formation enthalpies of Ti-Cu system agree very well with the experimental data.
     结果表明,对于Ti-Cu系统,符合得比较好.
短句来源
     The effect of the formation enthalpies on disproportionation reaction of the alloys at high temperature hydrogenation is discussed and it is found that the greater the entropies of alloys are, the more favorable it is for the disproportionation reaction.
     讨论了生成焓对高温氢化时合金发生歧化反应的影响 ,合金的生成焓愈大 ,对歧化反应愈有利 .
短句来源
     The formation enthalpies for Zr CoH, ZrCoD and ZrCoT at temperature from 398 K to 598 K are 82.81, 81.54 and 8 0.49 kJ/ mol, respectively. The results agree with the experimental results. I t is means that the present method is somehow reasonable for studing the thermod ynamic functions of the hydrogen storage materials theoretically.
     计算得出ZrCoH ,ZrCoD ,ZrCoT的生成焓 (3 98—5 98K)分别为 82 .81 ,81 .5 4和 80 .49kJ/mol,与实验结果很好符合
短句来源
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  the formation enthalpies
From these total energies, we obtain the formation enthalpies of all the binary compounds that are then used to assist in evaluating the Gibbs energy functions for the individual phases.
      
The formation enthalpies (ΔHf°) of 12 organosulfur radicals (R·) were determined for the first time from the published values of dissociation energies of R-X bonds.
      
An MNDO calculation gave the formation enthalpies of the components of equilibrium mixtures in concentrated aqueous acid solutions of formaldehyde.
      
The formation enthalpies of complexes-VacO, Qcmpl, 1, and single vacancies, QVac, 1, in the GB core (states-1) in Cr, Ta and W polycrystals have been measured for the first time.
      
Atomistic simulation calculations are used to predict the formation enthalpies of Schottky, Frenkel and anti-site defects.
      
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This paper discusses regularity of the formation enthalpies of the simple ions in gas phase and gives out some empirical formulae for calculating the gaseous formation enthalpies of the simple ions. According to the regularity of the gaseous formation enthal- pies of bivalent cations in first transition series, we indicate the same splitting of d energy level in first transition metals as in weak octahedral crystal field, and explainchange of vaporization enthalpies and melting...

This paper discusses regularity of the formation enthalpies of the simple ions in gas phase and gives out some empirical formulae for calculating the gaseous formation enthalpies of the simple ions. According to the regularity of the gaseous formation enthal- pies of bivalent cations in first transition series, we indicate the same splitting of d energy level in first transition metals as in weak octahedral crystal field, and explainchange of vaporization enthalpies and melting points of first transition metals with thier atomic numbers. These natures are not explained by energy band theory and Pauling's metal bond theory.

本文对简单离子气相生成焓的规律性进行了讨论,提出了几个计算简单离子气相生成焓的经验公式,根据第一过渡系元素二价离子的气相生成焓的变化规律,我们指出了第一过渡系金属的d能极分裂与在弱八面体晶体场中相同,从而解释了用能带理论和鲍林的金属鍵理论所不能解释的过渡金属的一些性质,如气化焓和熔点等。

The hydrogen storage capacities and pressure-composition isotherms of TiFe + La and TiFe + Mm alloys were measured by exhausting water method. The effect of La and Mm on the activation characteristics of the alloys was studied. It was shown that the activation characteristics of the alloys could be improved greatly and the alloys were activated near the room temperature when the quantities of La or Mm in the alloys were greater than 4 wt% under our experimental conditions. However, La or Mm did not enter the...

The hydrogen storage capacities and pressure-composition isotherms of TiFe + La and TiFe + Mm alloys were measured by exhausting water method. The effect of La and Mm on the activation characteristics of the alloys was studied. It was shown that the activation characteristics of the alloys could be improved greatly and the alloys were activated near the room temperature when the quantities of La or Mm in the alloys were greater than 4 wt% under our experimental conditions. However, La or Mm did not enter the crystal lattice of TiFe. They presented in the alloys in the form of a second phase to purify the alloys. The hydrogen storage mechanism mainly depends upon the intermetallic compound TiFe. The formation enthalpies of the hypothetical hydrides TiFeLa_yH_(1.0), were also calculated after Miedema's formulae and compared with the experimental results.

本文用排水法测量了TiFe+La及TiFe+Mm合金的贮氢量及坪台曲线。研究La及Mm对TiFe合金活化性能的影响。实验结果表明,当TiFe合金中的La或Mm含量大于4wt%时,就可以使合金的活化性能大为改善,使之在室温附近活化。La或Mm并没有进入TiFe晶格,它以第二相出现在合金中。La或Mm主要起纯化TiFe合金的作用。吸氢机制仍取决于TiFe金属间化合物。此外,我们还根据Miedema公式计算了TiFeLa_yH_(1.0)的形成焓,并与实验值作了比较。

This paper describes how to compare the strength of Lewis acids and bases quan -titatively by the formation enthalpies of acid-base reactions and how to estimate if qualitatively with the electronic and steric effects of substituents.

本文介绍了如何从酸碱反应的形成焓来定量比较Lewis酸碱的强度,以及如何从取代基的电子效应和空间效应来定性估计Lewis酸碱的强度。

 
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