CHINESE JOURNAL OF ENERGETIC MATERIALS
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L-J、Exp-6两种形式势能函数对计算无量纲第二维里系数的影响
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中国工程物理研究院科学技术发展基金(2008A0101003)


Effect of L-J or Exp-6 Potential Function on Calculation of Reduced Second Viral Coefficient
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    摘要:

    为考察势能函数形式(L-J、Exp-6)对计算无量纲第二维里系数B*(T*)的影响,采用变步长辛卜生(Simpson)求积法近似计算了两种形式势能函数下的B*(T*)。计算结果与文献值十分吻合,证明了本文计算方法的有效性。通过比较由L-J势能函数计算的B*(T*)L-J与由Exp-6势能函数计算的B*(T*)Exp-6,获得了其差值随T*的变化规律; 在爆轰环境条件下, T*在25~40之间, B*(T*)L-J与B* (T*)Exp-6具有较大差异。

    Abstract:

    In order to study the effect of potential function (L-J,Exp-6) on calculation of the reduced second Viral coefficient B*(T*), the Simpson′s changing step length integral was introduced to approximately calculate the different B*(T*). The calculation results are in agreement with literature values, which prove the availability of the calculation method introduced. By the comparison of B*(T*) L-J calculated by L-J potential function and B*(T*) Exp-6 calculated by Exp-6 potential function,the changing relationship between difference value(Δ(T*)) and reduced temperature(T*) was obtained. The result reveals that in detonation environment,when T* is 25-40, there is obvious difference between B*(T*) L-J and B*(T*) Exp-6.

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韩勇,龙新平,黄毅民,等. L-J、Exp-6两种形式势能函数对计算无量纲第二维里系数的影响[J].含能材料, 2009, 17(5):574-577. DOI:10.3969/j. issn.1006-9941.2009.05.018.
HAN Yong, LONG Xin-ping, HUANG Yi-min, et al. Effect of L-J or Exp-6 Potential Function on Calculation of Reduced Second Viral Coefficient[J]. Chinese Journal of Energetic Materials, 2009, 17(5):574-577. DOI:10.3969/j. issn.1006-9941.2009.05.018.

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历史
  • 收稿日期: 2009-01-23
  • 最后修改日期: 2009-06-14
  • 录用日期: 2009-05-07
  • 在线发布日期: 2009-10-15
  • 出版日期: 2009-10-25