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Complex multicomponent real fluid thermodynamic model for high pressure Diesel fuel injection

Rodriguez, C., Rokni, H., Koukouvinis, F. ORCID: 0000-0002-3945-3707 , Gupta, A. & Gavaises, M. ORCID: 0000-0003-0874-8534 (2019). Complex multicomponent real fluid thermodynamic model for high pressure Diesel fuel injection. Fuel, 257, article number 115888. doi: 10.1016/j.fuel.2019.115888


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
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:
[thumbnail of Carlos_Fuel.pdf]
Text - Accepted Version
Available under License Creative Commons Attribution Non-commercial No Derivatives.

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