CFD simulation of pseudo-diesel injections at high-load conditions employing the PC-SAFT EoS and VLE calculations

The molecular-based Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state (EoS) iscoupled with Vapor-Liquid Equilibrium (VLE) calculations in a density-based solver of the Navier-Stokes equations to perform multicomponent two-phase simulations of Diesel injections at high-pressure conditions. The PC-SAFTEoS requires three parameters, which can be fitted to experimental data or calculated using group contribution methods,to model the properties of a specific component. Therefore, there is no need for extensive model calibration, as is typically the case when the NIST library is utilised. PC-SAFT can flexibly handle the thermodynamic propertiesof multi-component mixtures for which the NIST (REFPROP) library supports only limited component combinations. Moreover, complex hydrocarbon mixtures can be modelled as a single pseudo-component knowing its number averaged molecular weight and the hydrogen-to-carbon ratio. One and two-dimensional simulations areincluded to demonstrate the multidimensional, multispecies and multiphase capability of the numerical framework