INCA - Computational Fluid Dynamics as good as it gets. - Multiphase Flows

M. Fathi, D. Roekaerts, S. Hickel (2025)
Applications in Energy and Combustion Science 24: 100398. doi: 10.1016/j.jaecs.2025.100398

A comprehensive unified framework of high-fidelity physical models and numerical simulation techniques for transcritical dual-fuel combustion systems is presented and applied for the analysis of three configurations, each involving injection of an n-dodecane jet into a 6 MPa, 1000 K environment. The cases differ in ambient composition: (1) a single-fuel baseline consisting of air mixed with combustion products, and (2–3) two dual-fuel cases with either methane or a 90:10 (by volume) methane/ethane blend added to the ambient.

M. Fathi, S. Hickel, D. Roekaerts (2025)
Combustion and Flame 281: 114360. doi: 10.1016/j.combustflame.2025.114360

This work introduces a modeling technique for the use of transcritical counterflow flames in flamelet modeling, expanding the capabilities of large-eddy simulations with multiphase thermodynamics (LES-MT) to accurately modeling transcritical combustion. By incorporating real-fluid effects and two-phase interactions, the transcritical flamelet library provides a high-fidelity representation of the complex behaviors in high-pressure multiphase autoignition scenarios. This calibration-free approach can significantly improve our understanding of the transcritical combustion of emerging fuels such as OME₃ or their combination with traditional fuels such as n-dodecane.

M. Fathi, D. Roekaerts, S. Hickel (2025)
Combustion and Flame 275: 114055. doi: 10.1016/j.combustflame.2025.114055

This work generalizes and extends the multiphase thermodynamics (MT) approach of Fathi & Hickel (2021) to transport properties and the diffusion driving force for real-fluid mixtures at transcritical pressures. Additionally, it introduces a finite-rate chemistry model that comprehensively addresses the real-fluid effects in high-pressure combustion based on species fugacity. The integration of these innovations provides a predictive model of unprecedented accuracy.

M. Fathi, S. Hickel, D. Roekaerts (2022)
Physics of Fluids 34: 085131. doi: 10.1063/5.0099154

We present a novel framework for high-fidelity simulations of inert and reacting sprays with highly accurate and computationally efficient models for complex real-gas effects in high-pressure environments, especially for the hybrid subcritical/supercritical mode of evaporation during the mixing of fuel and oxidizer at transcritical conditions.

M. Fathi, S. Hickel (2021)
AIChE Journal 67: e17174. doi: 10.1002/aic.17174

We present a new family of fast and robust methods for the calculation of the vapor–liquid equilibrium at isobaric-isothermal (PT-flash), isochoric-isothermal (VT-flash), isenthalpic-isobaric (HP-flash), and isoenergetic-isochoric (UV-flash) conditions. The framework is provided by formulating phase-equilibrium conditions for multi-component mixtures in an effectively reduced space based on the molar specific value of the recently introduced volume function derived from the Helmholtz free energy.

J. Matheis, S. Hickel (2018)
International Journal of Multiphase Flow 99: 294-311. doi: 10.1016/j.ijmultiphaseflow.2017.11.001

We present and evaluate a two-phase model for Eulerian large-eddy simulations (LES) of liquid-fuel injection and mixing at high pressure. The model is based on cubic equations of state and vapor-liquid equilibrium calculations and can represent the coexistence of supercritical states and multi-component subcritical two-phase states via a homogeneous mixture approach.

F. Örley, S. Hickel, S.J. Schmidt, N.A. Adams (2017)
International Journal of Engine Research 18:195-211. doi: 10.1177/1468087416643901

We investigate the turbulent multiphase flow inside a nine-hole common rail Diesel injector during a full injection cycle of ISO 4113 diesel fuel into air by implicit large-eddy simulation (LES). The simulation includes a prescribed needle movement obtained from a one-dimensional multi-domain simulation.

J. Matheis, S. Hickel (2016)
Proceedings of the 2016 Summer Program, Center for Turbulence Research, Stanford University. (also available online on arXiv:1609.08533)

We present and evaluate a detailed multi-species two-phase thermodynamic equilibrium model for large-eddy simulations (LES) of liquid-fuel injection and mixing at high pressure. The model can represent the coexistence of supercritical states and multi-component subcritical two-phase states.

C.P. Egerer, S.J. Schmidt, S. Hickel, N.A. Adams (2016)
Journal of Computational Physics 316: 453-469. doi: 10.1017/10.1016/j.jcp.2016.04.021

We present a numerical method for efficient large-eddy simulation of compressible liquid flows with cavitation based on an implicit subgrid-scale model. Phase change and subgrid-scale interface structures are modeled by a homogeneous mixture model that assumes local thermodynamic equilibrium. Unlike previous approaches, emphasis is placed on operating on a small stencil (at most four cells).

H. Müller, M. Pfitzner, J. Matheis, S. Hickel (2015)
Journal of Propulsion and Power 32: 46-56. doi: 10.2514/1.B35827

Large-eddy simulations are carried out for the coaxial injection of liquid nitrogen and preheated hydrogen at supercritical pressures. A novel volume-translation method on the basis of the cubic Peng–Robinson equation of state is introduced for the use in multispecies large-eddy simulations and is tested for both trans- and supercritical injection conditions.

F. Örley, T. Trummler, S. Hickel, M.S. Mihatsch, S.J. Schmidt, N.A. Adams (2015)
Physics of Fluids 27: 086101. doi: 10.1063/1.4928701

We employ a barotropic two-phase/two-fluid model to study the primary break-up of cavitating liquid jets emanating from a rectangular nozzle, which resembles a high aspect-ratio slot flow. All components (i.e., gas, liquid, and vapor) are represented by a homogeneous mixture approach. The cavitating fluid model is based on a thermodynamic-equilibrium assumption. Compressibility of all phases enables full resolution of collapse-induced pressure wave dynamics.

F. Örley, V. Pasquariello, S. Hickel, N.A. Adams (2015)
Journal of Computational Physics 283: 1-22. doi: 10.1016/j.jcp.2014.11.028

The conservative immersed interface method for representing complex immersed solid boundaries or phase interfaces on Cartesian grids is improved and extended to allow for the simulation of weakly compressible fluid flows through moving geometries. We demonstrate that an approximation of moving interfaces by a level-set field results in unphysical oscillations in the vicinity of sharp corners when dealing with weakly compressible fluids such as water. By introducing an exact reconstruction of the cut-cell properties directly based on a surface triangulation of the immersed boundary, we are able to recover the correct flow evolution free of numerical artifacts.

C.P. Egerer, S. Hickel, S.J. Schmidt, N.A. Adams (2014)
High Performance Computing in Science and Engineering ’14: 367-378 doi: 10.1007/978-3-319-10810-0_25

We present LES results of temporally evolving cavitating shear layers. Cavitation is modeled by a homogeneous equilibrium mixture model whereas the effect of subgrid-scale turbulence is accounted for by the Adaptive Local Deconvolution Method (ALDM). We quantitatively compare LES results with experimental data available in the literature.

C.P. Egerer, S. Hickel, S.J. Schmidt, N.A. Adams (2014)
Physics of Fluids 26, 085102. doi: 10.1063/1.4891325

Large-eddy simulations (LES) of cavitating flow of a Diesel-fuel-like fluid in a generic throttle geometry are presented. Two-phase regions are modeled by a parameter-free thermodynamic equilibrium mixture model, and compressibility of the liquid and the liquid-vapor mixture is taken into account. The Adaptive Local Deconvolution Method (ALDM), adapted for cavitating flows, is employed for discretizing the convective terms of the Navier-Stokes equations for the homogeneous mixture.

E. Lauer, X.Y. Hu, S. Hickel, N.A. Adams (2012)
Computers and Fluids 69: 1-19. doi: 10.1016/j.compfluid.2012.07.020

In this paper, we investigate the high-speed dynamics of symmetric and asymmetric cavitation bubble-collapse. For this purpose, a sharp-interface numerical model is employed, that includes a numerically efficient evaporation/condensation model.

E. Lauer, X.Y. Hu, S. Hickel, N.A. Adams (2012)
Physics of Fluids 24: 052104. doi: 10.1063/1.4719142

In most technical applications involving cavitation, vapor bubbles occur in clouds, and their collapse is affected by the interaction with neighboring bubbles. One approach to study the influence of these interactions is the investigation of the collapse of cavity arrays in water under shock wave loading. We describe in detail the collapse mechanisms during the collapse of a horizontal cavity array, with particular consideration of maximum pressures.

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