Cross second virial coefficients and dilute gas transport properties of the systems (CH4 + C2H6) and (N2 + C2H6) from accurate intermolecular potential energy surfaces

摘要: Abstract The cross second virial coefficients and dilute gas shear viscosities, thermal conductivities, binary diffusion of the systems (CH4 + C2H6) (N2 were determined at temperatures from 90 K to 1200 K using statistical thermodynamics kinetic theory molecular gases. required intermolecular potential energy surfaces (PESs) for CH4–C2H6 N2–C2H6 interactions are presented in this work, while like-species modeled PESs our previous studies on pure All these based high-level quantum-chemical ab initio calculations fine-tuned most accurate experimental data available coefficients. agreement calculated values all investigated thermophysical properties with best is overall very satisfactory confirms high accuracy values.