studyonthepartitionfunctionoftheidealair理想空气的配分函数研究.pdfVIP

Modern Physics 现代物理, 2011, 1, 66-71 /10.12677/mp.2011.13011 Published Online November 2011 (/journal/mp/) * Study on the Partition Function of the Ideal Air 1 2 1 1 Xuefen Huang , Yongfei Xue , Yunchong Tu , Keqi Wu 1The State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 2Department of Civil Engineering, Henan Institute of Engineering, Zhengzhou Email: huangfen201@163.com Received: Sep. 16th, 2011; revised: Oct. 24th, 2011; accepted: Oct. 26th, 2011. Abstract: The partition function of the air and its calculation method are studied in this paper. Statistical method and the quantum method which is based on the density functional theory (DFT) are used to calculate the partition functions of the oxygen molecule and nitrogen molecule. Further approximation and simplifica- tion was made here on the basis of the partition function decomposition theorem, the linear expressions of the total internal partition functions of the oxygen and nitrogen molecules were obtained. The results showed that the calculation results of these two methods were very consistent. The results of the simplified linear expres- sions were compared with the HITRAN database and existing results at home and abroad, the value of error was about 1%. Finally the calculation result of the partition function of the air was given. Keywords: Ideal Air; Oxygen and Nitrogen Molecules; Partition Function; the Total Internal Partition Functions; DFT Quantum Computing *