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。
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（A（ 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
出处
《含能材料》
EI
CAS
CSCD
北大核心
2009年第5期574-577,共4页
Chinese Journal of Energetic Materials
基金
中国工程物理研究院科学技术发展基金(2008A0101003)
关键词
统计物理学
势能函数
维里系数
状态方程
statistical physics
potential function
Viral coefficient
equation of state
