City Research Online

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.

Publication Type:	Article
Additional Information:	© Elsevier 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
Publisher Keywords:	Subcritical, PC-SAFT EoS, Diesel Fuel Injection
Subjects:	T Technology > TJ Mechanical engineering and machinery T Technology > TL Motor vehicles. Aeronautics. Astronautics
Departments:	School of Science & Technology > Engineering
SWORD Depositor:	Symplectic Administrator

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