Potential Energy Function and the Second Virial Coefficients of the Linear Molecules

By introducing the potential parameters associated with temperature,the improved 2CLJDQP potential model has been presented.The second virial coefficients of C_2H_6,C_2F_6,CH_3F, CH_3Cl,CH_3CF_3 and CH_3CHF_2 have been calculated from the improved 2CLJDQP model.The results show that the accuracy of second virial coefficient has been improved significantly using the new model, which describe the interaction between linear molecules more realistically.And the calculation deviations of the second virial coefficient of above substances are 2.87%,5.45%,1.74%,5.85%,2.29%,2.31% respectively.