Theoretical Calculations Of Interaction Potentials And Transport Coefficients Of Hydrogen And Nitrogen Molecular

Interaction potential plays important role in various researches of all fields, which is the basis of molecular and atom collision oscillation and rotation excited investigation. The molecular interaction is the rudiment of theoretical calculation of matter function. Moreover, the procession of calculating which is related transportation coefficient need to base on the interaction potential. And the transport processions widely take place in natural phenomenon and everyday life. Thereby, transport has become a vital tool in the researches of physics and engineering.This paper has some innovational ideas in the work of interaction potential: the Tang-Toennies potential model having been applied is being further applied here, and on the basis of that we calculate the transport coefficients.At first, the importance of interaction potential is introduced, and in the following parts the general definitions and fundamental functions are described. And at the same time the developments and models of interaction potential are introduced, as well as drawbacks and advantages of various models. Then the theoretical models of Tang-Toennies potential are introduced. And here, the introduction, drawbacks and its excellence are being focused on. In addition, some calculations which will be used to calculate potential parameters appear in this part. For instance, the approximate calculating methods of Van der Walls coefficients and the determination of Born-Mayer potential parameters. On the basis of that, key formulas of collision integrals are introduced. The formulas are used in calculating transportation coefficient by using physical mechanical methods. At the same time some related coefficients determinationusing physical mechanical methods. At the same time some related coefficients determination and the relationships among themselves are also given.Making the use of the methods mentioned above, we calculate interaction potentials of H2and N2 using Fortran programs created by ourselves. Compared with the results of related references, our calculated results are found to be pretty in accordance with theirs. It shows that Tang-Toennies potential models not only can be applied in atom-atom systems, atom-molecular systems and ion-molecular systems, but also can be used to deal with some molecular-molecular systems. Moreover, it is proved to be feasible to non-sphere symmetry deals. As a result of that, the applications of Tang-Toennies potential models are expanded widely. At the same time, the transport coefficients of N2 and H2, the viscosity coefficients and the thermal conductivity coefficients are calculated here. The Agreements of results of calculating and theoretical results further approve that the correction of choosing Tang-Toennies potential models. However, it can be supposed that with augments of eccentric rate, the precision of calculating potentials will decrease using Tang-Toennies potential models.