Investigation on sub-to-supercritical transition of diesel: Gas–liquid interface properties

Abstract

ABSTRACT By establishing a high-temperature droplet evaporation test device, the influence of ambient temperature on droplet morphology and droplet diameter is studied using diesel oil (D100). The variation of droplet evaporation characteristics is studied. The phase transition model of n-heptane in a supercritical environment is established and verified by the molecular dynamics simulation method. The diffusion coefficient, radial distribution function (RDF), surface tension, interfacial thickness, and liquid film temperature of n-heptane liquid film are analyzed. The results show that when the environmental conditions change from subcritical to supercritical, the diffusion coefficient decreases first and then increases from 8.55 × 10−4 cm/s−1 to 71.75 × 10−4 cm/s−1. The peak value of RDF decreases from 1627 to 438, and the smaller peaks after the main peaks tend to be smooth, indicating that n-heptane appears as a gas under supercritical conditions, and the phase transition changes from evaporation to diffusion. Cases 5(T = 973 K P = 5 MPa), 6(T = 573 K P = 7 MPa), 8(T = 773 K P = 7 MPa), and 9(T = 973 K P = 7 MPa) are high-supercritical calculation cases, with MSD of 1.71 × 105 Å2, 4.03 × 105 Å2, 2.49 × 105 Å2, 4.07 × 105 Å2, compare with case 1(T = 573 K P = 3 MPa), MSD increased by 11 times. When T/Tc ≥1.5 and P/Pc ≥1.5, n-heptane undergo three stages of transition from subcritical state to supercritical state. The first stage is the subcritical evaporation stage. With the evaporation of n-heptane, the fuel surface tension gradually disappears, the subcritical evaporation stage ends, and the transition stage begins. When the liquid film temperature exceeds the critical value, the transition phase ends, and the supercritical diffusion phase begins. In addition, when the ambient pressure is 5 MPa and 7MPa, the ambient temperature rises from 773 K to 973 K. The proportion of the transition process in the evaporation process increases by 19% and decreases by 3%, respectively.