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NF_3和环氧乙烷(C_2H_4O)作为推进剂,曾由Sundaram按刚性转子-谐振子模型计算了其光谱熵.但由于忽略了离心力的影响,必然致使计算结果偏低(尤其在高温下).本文按Kivelson等给出的离心力校正参数τ值与离心力伸长常数D_J、D_(JK)和D_K间的关系式,由微波谱给出的数据计算了C_2H_4O的离心伸长常数(表1).改按非刚性转子—谐振子模型,采用直接加和法重新精确计算转动、振动配分函数,进而在100～2000K范围内计算了NF_3和C_2H_4O的光谱熵(表2).比较了所得结果与Sundaram的计算值
NF_3 and ethylene oxide (C_2H_4O) as propellants, Sundaram had calculated its spectral entropy according to the rigid rotor-resonator model, but neglected the influence of centrifugal force would inevitably lead to the low calculation results (especially under high temperature). In this paper, according to Kivelson et al given centrifugal force correction parameters τ value and the centrifugal force elongation constants D_J, D_ (JK) and D_K relationship between calculated by the microwave spectrum data calculated C_2H_4O centrifugal elongation constant (Table 1). By using the non-rigid rotor-harmonic model, the rotational and vibrational partition functions were recalculated using the direct addition method, and the spectral entropies of NF_3 and C_2H_4O were calculated in the range of 100K to 2000K (Table 2). The obtained results were compared with Sundaram Calculated value