CHINESE JOURNAL OF ENERGETIC MATERIALS
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Effect of L-J or Exp-6 Potential Function on Calculation of Reduced Second Viral Coefficient
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    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.
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.

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History
  • Received:January 23,2009
  • Revised:June 14,2009
  • Adopted:May 07,2009
  • Online: October 15,2009
  • Published: October 25,2009