CFD simulation of pseudo-diesel injections at high-load conditions employing the PC-SAFT EoS and VLE calculations
Carlos Rodriguez  1@  , Houman Rokni  1, 2@  , Phoevos Koukouvinis  1@  , Ashutosh Gupta  3@  , Manolis Gavaises  1@  
1 : City University London
Northampton Square, London EC1V 0HB -  United Kingdom
2 : Afton Chemical Ltd.
Bracknell, Berkshire RG12 2UW -  United Kingdom
3 : Afton Chemical Corp.
Richmond, VA 23219 -  United States

The molecular-based Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state (EoS) is coupled 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-SAFT EoS 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 properties of 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 are included to demonstrate the multidimensional, multispecies and multiphase capability of the numerical framework.


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