Synergistic Effect of i-C3F7CN/CO2 and i-C3F7CN/N2 Mixtures

Abstract

In order to study the synergistic effect of i-C3F7CN mixtures, were carried out the power frequency breakdown experiments on 5%-20% i-C3F7CN/CO2 and i-C3F7CN/N2 mixtures in uniform electric fields with pressures ranging from 0.1 to 0.7 MPa. Based on density functional theory (DFT), the configurations of single molecular and bimolecular complexes were established and optimized using the M06-2X-D3/6-311G(d, p) method. Also, the total energy, interaction energy, and bond energy of the molecules or complexes were obtained using M06-2X-D3/6-311+G(d, p) method. The experimental and computational results show that the power frequency breakdown fields of i-C3F7CN/CO2 and i-C3F7CN/N2 mixtures increase linearly with pressure. In the range of 0.1-0.2 MPa, the synergistic effect of the i-C3F7CN mixtures enhances as the i-C3F7CN proportion increases, and the synergistic effect of i-C3F7CN/CO2 mixture is more significant than that of i-C3F7CN/N2 mixture. The interaction energy between the complexes of i-C3F7CN CO2 is -7.36 kJ/mol, which is stronger than -3.09 kJ/mol of the complexes of i-C3F7CN N2. The results show that there is a correlation between the synergistic effect of i-C3F7CN mixtures and the intermolecular interaction of i-C3F7CN bimolecular complexes. The synergistic effect of i-C3F7CN mixtures can be analyzed by calculating the interaction between i-C3F7CN and the molecular structure of buffer gases.