摘要
利用HFC12 5的音速和非线性最小二乘法中的Levenberg Marquardt方法 ,拟合得到一个新的具有更高精度和更广适用范围的HFC12 5第二维里系数计算关联式 ,可以用于流体其他热物性参数的计算 .从第二维里系数和第二音速维里系数及其与分子间势能函数的关系 ,提出了用第二音速维里系数确定分子间势能模型参数的新方法 ,并推导出用第二音速维里系数拟合方阱、LJ(6 ,12 )及Kihara等势能模型参数的关系式 .利用新方法拟合得到了HFC12 5的方阱、LJ(6 ,12 )及Kihara势能函数的势能参数 .与传统的拟合势能参数方法相比 。
Based on the sound speed of pentafluoroethane (HFC125) and Levenberg Marquardt method, a new practical correlation equation was obtained for HFC125, which has higher accuracy and further applicability. In order to determine the intermolecular potential (including square well, Lennard Jones, Kihara, Stockmayer and etc) parameters, a new method was developed with the relationships of the second virial coefficient, the second acoustical virial coefficient and the intermolecular potential function. By the new method, the intermolecular potential (SW, LJ, Kihara) parameters of HFC125 was determined. Compared with the typical method, the new method has higher accuracy and reliability.
出处
《西安交通大学学报》
EI
CAS
CSCD
北大核心
2000年第11期5-8,26,共5页
Journal of Xi'an Jiaotong University
基金
国家自然科学基金!资助项目 (5 9976 0 30 ) .
关键词
第二维里系数
势能模型参数
音速
制冷剂
the second virial coefficient
acoustical virial coefficient
intermolecular potential parameter
sound speed
HFC125
SW
Lennard Jones
Kihara