Complex multicomponent real-fluid thermodynamic model for high-pressure Diesel fuel injection. (1st December 2019)

• Record Type: Journal Article
• Authors: Rodriguez, C.; Rokni, Houman B.; Koukouvinis, P.; Gupta, Ashutosh; Gavaises, M.
• Is Part Of: Fuel. Volume 257(2019)
• Publication Date: 2019-12-01
• Subjects: Subcritical -- PC-SAFT EoS -- Diesel fuel injection; Fuel -- Periodicals; Coal -- Periodicals; Coal; Fuel; Periodicals; 662.6
• DOI: 10.1016/j.fuel.2019.115888
• Languages: English
• ISSNs: 0016-2361

Abstract

Abstract: The Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) has been 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. This molecular-based EoS requires three empirically determined but well-known parameters to model the properties of a specific component, and thus, there is no need for extensive model calibration, as is typically the case when the NIST (REFPROP) library is utilised. PC-SAFT can handle flexibly 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 (MW) and hydrogen-to-carbon (HN/CN) ratio. Published molecular dynamic simulations have been utilised to demonstrate that the developed algorithm properly captures the VLE interface at high-pressure conditions. Several advection test cases and shock tube problems were performed to validate the numerical framework using analytical and exact solutions. Additionally, two-dimensional simulations of n-dodecane and Diesel injections into nitrogen are included to demonstrate the multidimensional, multispecies and multiphase capability of the numerical framework.