最新色国产精品精品视频,中文字幕日韩一区二区不卡,亚洲有码转帖,夜夜躁日日躁狠狠久久av,中国凸偷窥xxxx自由视频

+高級檢索
VQ2(Q=H, D, T)熱力學(xué)氫同位素效應(yīng)的理論研究
DOI:
作者:
作者單位:

作者簡介:

通訊作者:

中圖分類號:

基金項(xiàng)目:


Theoretical Study on Thermodynamic Hydrogen Isotope Effect of VQ2 (Q=H, D and T)
Author:
Affiliation:

Fund Project:

  • 摘要
  • |
  • 圖/表
  • |
  • 訪問統(tǒng)計(jì)
  • |
  • 參考文獻(xiàn)
  • |
  • 相似文獻(xiàn)
  • |
  • 引證文獻(xiàn)
  • |
  • 資源附件
  • |
  • 文章評論
    摘要:

    基于量子力學(xué)第一性原理,采用贗勢平面波函數(shù)與密度泛函結(jié)合的方法,計(jì)算并研究V、VH2、VD2、VT2體系的晶格動(dòng)力學(xué)特征及熱力學(xué)函數(shù),采用熱力學(xué)方法分析釩吸氫生成VQ2(Q=H,D,T)的熱力學(xué)同位素效應(yīng)。晶格動(dòng)力學(xué)性質(zhì)研究表明,VQ2的熱力學(xué)同位素效應(yīng)主要是氫同位素在釩晶格中的振動(dòng)頻率不同導(dǎo)致的。VQ2生成反應(yīng)在10~1000 K的溫度范圍內(nèi)標(biāo)準(zhǔn)吉布斯自由能變 由-50 kJ·mol-1近似線性上升至140 kJ·mol-1。平衡壓力與溫度關(guān)系表明,在高于常溫的條件下,平衡壓力隨溫度急劇升高;釩吸附氫同位素生成二氫化釩在整個(gè)溫度范圍內(nèi)均表現(xiàn)為負(fù)同位素效應(yīng)

    Abstract:

    Based on ab-initio principle and pseudo-potential plain wave function combined with density function theory, crystal lattice dynamical characteristics and thermodynamical functions of V, VH2, VD2 and VT2 were calculated. The thermodynamical isotope effect was analyzed based on those calculated data. Calculation results show that both difference of vibration frequency of atoms in VQ2 (Q=H, D and T) and difference of oscillation frequency of hydrogen isotopes are mainly responsible for the hydrogen isotope effect. The standard Gibbs free energy change of the absorption reaction rises from –50 kJ/mol to 140 kJ/mol with the temperature increasing from 10 K to 1000 K. The equilibrium pressure climbs drastically when temperature is higher than room temperature. Within the whole temperature range, only inverse hydrogen isotope effect is found

    參考文獻(xiàn)
    相似文獻(xiàn)
    引證文獻(xiàn)
引用本文

雷強(qiáng)華,陳長安,黃 理,張永彬. VQ2(Q=H, D, T)熱力學(xué)氫同位素效應(yīng)的理論研究[J].稀有金屬材料與工程,2010,39(2):204~208.[Lei Qianghua, Chen Chang’an, Huang Li, Zhang Yongbin. Theoretical Study on Thermodynamic Hydrogen Isotope Effect of VQ2 (Q=H, D and T)[J]. Rare Metal Materials and Engineering,2010,39(2):204~208.]
DOI:[doi]

復(fù)制
文章指標(biāo)
  • 點(diǎn)擊次數(shù):
  • 下載次數(shù):
  • HTML閱讀次數(shù):
  • 引用次數(shù):
歷史
  • 收稿日期:2009-03-26
  • 最后修改日期:
  • 錄用日期:
  • 在線發(fā)布日期:
  • 出版日期: