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Phase-changing flows: numerical methods and fully resolved simulations
KTH, School of Engineering Sciences (SCI), Engineering Mechanics. FLOW, Department of Engineering Mechanics.ORCID iD: 0000-0002-1330-3348
2022 (English)Doctoral thesis, comprehensive summary (Other academic)Alternative title
Fasskiftande flöden: numeriska metoder och högupplösta numeriska simuleringar (Swedish)
Abstract [en]

Flows with evaporation and boiling are abundant in different contexts, such as geophysics, the biomedical sectors, and industrial applications. Spray combustion, boiling bubble flows, oceanic sprays, formation and evolution of clouds, spreading of infectious diseases are all relevant examples where a deeper understanding of phase-changing flows is of great importance. Fully resolved simulations may assume a central role of investigation as they can overcome the current limitations of the experimental techniques and complement them.

In the first part of this work, we present novel methodologies to perform interface-resolved simulations of phase-changing flows addressing the following three challenges: i) handling abrupt variations of the velocity field across the interface, ii) accurately evaluating the heat and mass interfacial fluxes, iii) incorporate compressibility inevitably present in bounded domains. Both sharp and diffuse interface formulations are considered and the resulting two methods are designed for different classes of multiphase flows. First, we devise a weakly compressible algorithm to describe incompressible evaporating droplets surrounded by a compressible gas medium treated in the low-Mach limit. This approach combines a volume of fluid method and the pressure-splitting techniques of zero-Mach methods to ensure volume conservation of the liquid phase and conservation of the mass of the compressible phase. Next, we develop a fully compressible algorithm for compressible bubbles in boiling flows, where rapid expansions and nonuniformity of the thermodynamic pressure fields make the zero-Mach limit inadequate.

In the second part of the thesis, we discuss how these numerical tools can be utilized to study relevant configurations of evaporating flows. Two flow regimes are considered: i) dispersed droplets, and, ii) a horizontal gas-liquid interface. Droplets are first considered in homogeneous shear turbulence in a dilute condition. Here, we benchmark the semi-empirical correlations for the evaporation rate with the data extracted from DNS of finite-size droplets and study the effect of deformation on the global and local evaporation rate. Thereafter, we move then to a denser regime in a triperiodic domain and study the deviation from the d2-law as a function of initial gas temperature and liquid volume fractions. We confirm that even when evaporation is purely driven by diffusion, deviations from the d2-law cannot be characterized only by the initial volume fraction, but also temperature plays a role: high temperature promotes the departure from the d2-law regime at higher volume fractions, while at ambient temperature, this departure occurs at lower volume fraction. Next, we study the evaporation occurring at a gas-liquid interface in Rayleigh–Bénard convection. For this configuration, we develop an analytical prediction of the interface temperature and the global heat transfer modulation and interface-resolved simulations are employed to assess the validity of the models. The excellent agreement opens the possibility to employ the suggested law for those applications where accurate predictions of interface temperature and heat transfer are sought.

Abstract [sv]

Flöden med avdunstning och kokning är vanligt förekommande i olika sammanhang, t.ex. inom området geofysik och biomedicin samt industriella tillämpningar. Sprayförbränning, kokande bubbelflöden, oceaniska sprayer, bildning och utveckling av moln, spridning av infektionssjukdomar är alla relevanta exempel där en djupare förståelse för fasskiftande flöden är av stor vikt. Högupplösta numeriska simuleringar kan ha en viktig roll i undersökningen av dessa fenomen, eftersom de kan övervinna begränsningarna hos de existerande experimentella metoderna och komplettera dem.

I den första delen av detta arbete presenterar vi nya metoder för gränssnitt\-supplösta simuleringar av fasskiftande flöden som adresserar följande tre utmaningar: i) att hantera snabba variationer av hastighetsfältet över gränssnittet, ii) att noggrant utvärdera överföring av värme och massa vid gränssnittet, iii) att inkorporera kompressibilitet av fluiden som oundvikligen finns i avgränsade domäner. Både skarpa och diffusa gränssnittsformuleringar behandlas här, och de resulterande två metoderna är designade för olika klasser av flerfasflöden. Först har vi tagit fram en algoritm för ett svagt kompressibelt flöde för att beskriva  avdunstning av inkompressibla droppar omgivna av ett kompressibelt gasmedium i gränsen för låga Machtal. Detta tillvägagångssätt kombinerar en vätskevolymmetod och tryckdelningstekniken för beräkning av ett inkompressibelt flöde för att säkerställa bevarande av av vätskefasens volym och massan av den kompressibla fasen. Därefter har vi utvecklat en algoritm för kompressibla bubblor i kokande flöden, där snabba expansioner och variationer i de termodynamiska tryckfälten gör approximationen för ett flöde med lågt Machtal otillräcklig.

I den andra delen av avhandlingen diskuterar vi hur dessa numeriska verktyg kan användas för att studera relevanta fall av flöden där förångningsprocessen ingår. Här beaktar vi två flödesregimer: i) dispergerade droppar, och ii) en horisontell gas-vätskegränsyta. Droppar betraktas först i ett homogent turbulent flöde i utspätt tillstånd. Här jämför vi de semi-empiriska korrelationerna för avdunstningshastigheten med data från direkt numeriska simuleringar för små droppar och studerar effekten av deformation på den globala och lokala förångningshastigheten. Därefter betraktar vi fall med högre densitet av droppar i en domän med periodiska randvillkor i alla riktningar och studerar avvikelsen från d2-lagen som en funktion av initial gastemperatur och vätskevolymfraktion. Vi bekräftar att även när förångningen enbart drivs av diffusion, kan avvikelser från d2-lagen inte karakteriseras endast av den initiala volymfraktionen, utan även temperaturen spelar en roll: hög temperatur främjar avvikelsen från d2-lagsregim vid högre volymfraktion, medan vid omgivningstemperatur sker denna avvikelse vid lägre volymfraktion. Därefter studerar vi förångningen som sker vid ett gas-vätskegränssnitt i ett Rayleigh–Bénard-konvektion flöde. För denna konfiguration utvecklar vi analytiska utryck för gränssnittstemperaturen och den globala värmeöverföringsmoduleringen och använder gränssnittsupplösta simuleringar för att bedöma modellernas giltighet. Den utmärkta överstämmelsen mellan modellen och simuleringsdata öppnar möjligheten för användning av den föreslagna analytiska modellen för de applikationer där exakt prediktering av gränssnittstemperatur och värmeöverföring eftersträvas.

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2022.
Series
TRITA-SCI-FOU ; 2022:32
Keywords [en]
Phase change, interface-resolved simulations, compressibility, evaporating droplets, evaporation-driven thermal convection.
National Category
Engineering and Technology
Research subject
Engineering Mechanics
Identifiers
URN: urn:nbn:se:kth:diva-312912ISBN: 978-91-8040-281-1 (print)OAI: oai:DiVA.org:kth-312912DiVA, id: diva2:1660690
Public defence
2022-06-15, Register in advance for this webinar: https://kth-se.zoom.us/webinar/register/WN_E1gJmeQ1QdS0jaJ-UJFUkw, F3, Lindstedtsvägen 26 & 28, Stockholm, 10:00 (English)
Opponent
Supervisors
Funder
Swedish Research Council, 2016-06119
Note

QC 220525

Available from: 2022-05-25 Created: 2022-05-24 Last updated: 2022-12-06Bibliographically approved
List of papers
1. A volume-of-fluid method for interface-resolved simulations of phase-changing two-fluid flows
Open this publication in new window or tab >>A volume-of-fluid method for interface-resolved simulations of phase-changing two-fluid flows
2020 (English)In: Journal of Computational Physics, ISSN 0021-9991, E-ISSN 1090-2716, Vol. 407, article id 109251Article in journal (Refereed) Published
Abstract [en]

We present a numerical method for interface-resolved simulations of evaporating two-fluid flows based on the volume-of-fluid (VoF) method. The method has been implemented in an efficient EFT-based two-fluid Navier-Stokes solver, using an algebraic VoF method for the interface representation, and extended with the transport equations of thermal energy and vaporized liquid mass for the single-component evaporating liquid in an inert gas. The conservation of vaporizing liquid and computation of the interfacial mass flux are performed with the aid of a reconstructed signed-distance field, which enables the use of well-established methods for phase change solvers based on level-set methods. The interface velocity is computed with a novel approach that ensures accurate mass conservation, by constructing a divergence-free extension of the liquid velocity field onto the entire domain. The resulting approach does not depend on the type of interface reconstruction (i.e. can be employed in both algebraic and geometrical VoF methods). We extensively verified and validated the overall method against several benchmark cases, and demonstrated its excellent mass conservation and good overall performance for simulating evaporating two-fluid flows in two and three dimensions.

Place, publisher, year, edition, pages
ACADEMIC PRESS INC ELSEVIER SCIENCE, 2020
Keywords
Interface-resolved direct numerical simulations, Volume-of-fluid method, Phase change
National Category
Fluid Mechanics
Identifiers
urn:nbn:se:kth:diva-271763 (URN)10.1016/j.jcp.2020.109251 (DOI)000519535500014 ()2-s2.0-85078608275 (Scopus ID)
Note

QC 20200406

Available from: 2020-04-06 Created: 2020-04-06 Last updated: 2025-02-09Bibliographically approved
2. An interface capturing method for liquid-gas flows at low-Mach number
Open this publication in new window or tab >>An interface capturing method for liquid-gas flows at low-Mach number
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2021 (English)In: Computers & Fluids, ISSN 0045-7930, E-ISSN 1879-0747, Vol. 216, article id 104789Article in journal (Refereed) Published
Abstract [en]

Multiphase, compressible and viscous flows are of crucial importance in a wide range of scientific and engineering problems. Despite the large effort paid in the last decades to develop accurate and efficient numerical techniques to address this kind of problems, current models need to be further improved to address realistic applications. In this context, we propose a numerical approach to the simulation of multiphase, viscous flows where a compressible and an incompressible phase interact in the low-Mach number regime. In this frame, acoustics are neglected but large density variations of the compressible phase can be accounted for as well as heat transfer, convection and diffusion processes. The problem is addressed in a fully Eulerian framework exploiting a low-Mach number asymptotic expansion of the Navier-Stokes equations. A Volume of Fluid approach (VOF) is used to capture the liquid-gas interface, built on top of a massive parallel solver, second order accurate both in time and space. The second-order-pressure term is treated implicitly and the resulting pressure equation is solved with the eigenexpansion method employing a robust and novel formulation. We provide a detailed and complete description of the theoretical approach together with information about the numerical technique and implementation details. Results of benchmarking tests are provided for five different test cases. 

Place, publisher, year, edition, pages
Elsevier Ltd, 2021
Keywords
Compressible multi-phase flows, Low-Mach number asymptotic expansions, Pressure-correction methods, Volume-of-Fluid method, Aerodynamics, Heat transfer, Incompressible flow, Liquefied gases, Navier Stokes equations, Numerical methods, Phase interfaces, Viscous flow, Asymptotic expansion, Convection and diffusion, Engineering problems, Interface-capturing method, Liquid gas interface, Numerical techniques, Realistic applications, Theoretical approach, Mach number
National Category
Fluid Mechanics
Identifiers
urn:nbn:se:kth:diva-292526 (URN)10.1016/j.compfluid.2020.104789 (DOI)000605755700002 ()2-s2.0-85098450995 (Scopus ID)
Note

QC 20210409

Available from: 2021-04-09 Created: 2021-04-09 Last updated: 2025-02-09Bibliographically approved
3. Finite-size evaporating droplets in weakly compressible homogeneous shear turbulence
Open this publication in new window or tab >>Finite-size evaporating droplets in weakly compressible homogeneous shear turbulence
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2022 (English)In: Journal of Fluid Mechanics, ISSN 0022-1120, E-ISSN 1469-7645, Vol. 934, article id A15Article in journal (Refereed) Published
Abstract [en]

We perform interface-resolved simulations of finite-size evaporating droplets in wealdy compressible homogeneous shear turbulence. The study is conducted by varying three dimensionless physical parameters: the initial gas temperature over the critical temperature T-g,T-0/T-c, the initial droplet diameter over the Kolmogorov scale d(0)/eta and the surface tension, i.e. the shear-based Weber number, We(S). For the smallest We(S), we first discuss the impact on the evaporation rate of the three thermodynamic models employed to evaluate the gas thermophysical properties: a constant property model and two variable-properties approaches where either the gas density or all the gas properties are allowed to vary. Taking this last approach as reference, the model assuming constant gas properties and evaluated with the '1/3' rule is shown to predict the evaporation rate better than the model where the only variable property is the gas density. Moreover, we observe that the well-known Frossling/Ranz-Marshall correlation underpredicts the Sherwood number at low temperatures, T-g,T-0/T-c = 0.75. Next, we show that the ratio between the actual evaporation rate in turbulence and the one computed in stagnant conditions is always much higher than one for wealdy deformable droplets: it decreases with T-g,T-0/T-c without approaching unity at the highest T-g,T-0/T-c considered. This suggests an evaporation enhancement due to turbulence also in conditions typical of combustion applications. Finally, we examine the overall evaporation rate and the local interfacial mass flux at higher Wes, showing a positive correlation between evaporation rate and interfacial curvature, especially at the lowest T-g,T-0/T-c.

Place, publisher, year, edition, pages
Cambridge University Press (CUP), 2022
Keywords
drops, condensation/evaporation, homogeneous turbulence
National Category
Fluid Mechanics
Identifiers
urn:nbn:se:kth:diva-307550 (URN)10.1017/jfm.2021.1140 (DOI)000742393500001 ()2-s2.0-85123954032 (Scopus ID)
Note

QC 20220131

Available from: 2022-01-31 Created: 2022-01-31 Last updated: 2025-02-09Bibliographically approved
4. Evaporating Rayleigh-B\'enard convection: prediction of interface temperature and global heat transfer modulation
Open this publication in new window or tab >>Evaporating Rayleigh-B\'enard convection: prediction of interface temperature and global heat transfer modulation
2022 (English)In: Article in journal (Other academic) Submitted
Abstract [en]

We propose an analytical model to estimate the interface temperature $\Theta_{\Gamma}$ and the Nusselt number $Nu$ for an evaporating two-layer Rayleigh-B\'enard configuration in statistically stationary conditions. The model is based on three assumptions: (i) the Grossmann-Lohse theory for thermal convection can be applied on the liquid and gas layers separately, (ii) the vapour content in the gas can be taken as the mean value at the gas-liquid interface and (iii) the bulk gas temperature can be determined neglecting the contributions of the thermal boundary layers. The resulting model can accommodate non-Oberbeck-Boussinesq effects in the liquid and the gas phases, as well as the variation of the liquid height due to evaporation. To obtain a simplified scaling between $Nu$ and the Rayleigh number $Ra$, we specify the model for the case of an Oberbeck-Boussinesq liquid and a gas phase with uniform properties except for the gas density and the vapour diffusion coefficient, which are functions of thermodynamic pressure, local temperature and vapour composition. We validate this simplified setting using direct numerical simulations for $Ra=10^6, 10^7$ and $10^8$ and for four values of the temperature differential $\varepsilon=0.05,0.10,0.15$ and $0.20$, which modulates the change of state variables in the gas layer. The proposed model agrees very well with the numerical simulations in the entire range of $Ra-\varepsilon$ investigated.

National Category
Engineering and Technology
Identifiers
urn:nbn:se:kth:diva-312823 (URN)
Note

QC 20220525

Submitted to Journal of Fluid Mechanic

Available from: 2022-05-23 Created: 2022-05-23 Last updated: 2023-03-01Bibliographically approved
5. A pressure-based diffuse interface method for low-Mach multiphase flows with mass transfer
Open this publication in new window or tab >>A pressure-based diffuse interface method for low-Mach multiphase flows with mass transfer
2022 (English)In: Journal of Computational Physics, ISSN 0021-9991, E-ISSN 1090-2716, Vol. 448, p. 110730-, article id 110730Article in journal (Refereed) Published
Abstract [en]

This study presents a novel pressure-based methodology for the efficient numerical solution of a four-equation two-phase diffuse interface model. The proposed methodology has the potential to simulate low-Mach flows with mass transfer. In contrast to the classical conservative four-equation model formulation, the adopted set of equations features volume fraction, temperature, velocity and pressure as the primary variables. The model includes the effects of viscosity, surface tension, thermal conductivity and gravity, and has the ability to incorporate complex equations of state. Additionally, a Gibbs free energy relaxation procedure is used to model mass transfer. A key characteristic of the proposed methodology is the use of high performance and scalable solvers for the solution of the Helmholtz equation for the pressure, which drastically reduces the computational cost compared to analogous density-based approaches. We demonstrate the capabilities of the methodology to simulate flows with large density and viscosity ratios through extended verification against a range of different test cases. Finally, the potential of the methodology to tackle challenging phase change flows is demonstrated with the simulation of three-dimensional nucleate boiling. <comment>Superscript/Subscript Available</comment

Place, publisher, year, edition, pages
Elsevier BV, 2022
Keywords
Compressible multiphase flows, Mass transfer, Boiling, Low-Mach number, Diffuse interface method, Pressure-based methods
National Category
Fluid Mechanics
Identifiers
urn:nbn:se:kth:diva-306532 (URN)10.1016/j.jcp.2021.110730 (DOI)000725033200010 ()2-s2.0-85116009384 (Scopus ID)
Note

QC 20211223

Available from: 2021-12-23 Created: 2021-12-23 Last updated: 2025-02-09Bibliographically approved
6. FluTAS: A GPU-accelerated finite difference code for multiphase flows
Open this publication in new window or tab >>FluTAS: A GPU-accelerated finite difference code for multiphase flows
Show others...
(English)In: Computer Physics Communications, ISSN 0010-4655, E-ISSN 1879-2944Article in journal (Refereed) Submitted
Abstract [en]

We present the Fluid Transport Accelerated Solver, FluTAS, a scalable GPU code for multiphase flows with thermal effects. The code solves the incompressible Navier-Stokes equation for two-fluid systems, with a direct FFT-based Poisson solver for the pressure equation. The interface between the two fluids is represented with the Volume of Fluid (VoF) method, which is mass conserving and well suited for complex flows thanks to its capacity of handling topological changes. The energy equation is explicitly solved and coupled with the momentum equation through the Boussinesq approximation. The code is conceived in a modular fashion so that different numerical methods can be used independently, the existing routines can be modified, and new ones can be included in a straightforward and sustainable manner. FluTAS is written in modern Fortran and parallelized using hybrid MPI/OpenMP in the CPU-only version and accelerated with OpenACC directives in the GPU implementation. We present different benchmarks to validate the code, and two large-scale simulations of fundamental interest in turbulent multiphase flows: isothermal emulsions in HIT and two-layer Rayleigh-Bénard convection. FluTAS is distributed through a MIT license and arises from a collaborative effort of several scientists, aiming to become a flexible tool to study complex multiphase flows.

National Category
Engineering and Technology
Identifiers
urn:nbn:se:kth:diva-312825 (URN)
Note

QC 20220524

Available from: 2022-05-23 Created: 2022-05-23 Last updated: 2023-03-01Bibliographically approved

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