Lecture 1:

Introduction to Reacting Flows

15.0 Release

Advanced Combustion Training

1 © 2013 ANSYS, Inc. July 18, 2014 ANSYS Confidential

 Outline
• Introduction to combustion
• Combustion applications
• CFD modeling
• Types of flames
• Role of turbulence
• Fast vs. slow chemistry
• Reacting flow models in Fluent 15
• Modeling examples at a glance
• Non-dimensional numbers

2 © 2013 ANSYS, Inc. July 18, 2014 ANSYS Confidential

 Combustion
• One of the most important aspects of
human life
• Important technological innovation during
the Paleolithic period (2.5 to 2 M years ago)
• Early usage of combustion (fire)
– To provide a source of light and heat
– To protect early humans from wild animals
– To cook food

• It fostered a sense of community for the

groups of people gathered around it

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 Modern Use of Combustion
Boilers

Rocket Propulsion

Gas Turbine Combustors

Gas Flares

IC Engines

Cement Kilns

Steel Making

Several Other Applications!!

Glass Melting Furnaces
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 Other Important Reacting Flows
Thought, combustion is the dominant form of the reacting flows, other forms of
reacting flows are also of importance!
Biochemical and Biomedical Electro-Chemical Reactions
CVD

Battery

Micro-reactors

Anode
off-gas

Pollution Control

Fire and Fire Protection

5 © 2013 ANSYS, Inc. July 18, 2014 ANSYS Confidential Fuel Cells
 Reacting Flows: CFD Modeling
• Devices are very complex
– Complex geometry
– Complex boundary conditions
– Complex physics: Turbulence; Multi-phase; Chemistry;
Radiation,…..
• CFD modeling to gain insight and understanding
– Flow field and mixing characteristics
– Temperature field
– Species concentrations
– Particulates and pollutants
• Better insight helps to reduce expensive experiments
• Eventually better designs!
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 Types of Flames
Diffusion Premixed
Diffusion flames
• Separate streams for fuel and oxidizer
• Convection or diffusion of reactants
from either side into a flame sheet
Premixed flames Close Open
• Fuel and oxidizer are already mixed at Air Hole Opening

the molecular level prior to ignition

• Flame propagation from hot products to Fuel 
Diffusion flame
cold reactants Oxidizer 
• Rate of propagation (flame speed)
depends on the internal flame structure Fuel
+  Premixed flame
Oxidizer
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 Why Reacting Flow Modeling is Complex?
• Turbulence
– Most industrial flows are turbulent
– Full resolution is not possible: wide range of time and length scales
involved
• Chemistry
– Realistic chemical mechanisms cannot be described by a single or
two reaction equations
• Tens of species, hundreds of reactions
• Known in detail for only a limited number of fuels
– Stiff kinetics: Wide range of reacting time scales
• Turbulence-chemistry interaction
– Reaction rates sensitive to local changes due to enhanced mixing
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 Role of Turbulence in Reacting System
• Reactions and turbulence affect each other
• Turbulence is modified by flames
– Through flow acceleration, modified kinematic viscosity
• Modified turbulence alters the flame structure
– Enhanced mixing and chemical reactions (through temp and
species/radicals fluctuations)
• Mixing time scale (F) relative to chemical time scale (chem)
– Important parameter to decide whether the reaction is mixing limited or
chemically limited
𝒌
– Mixing time scale in turbulent flows (for RANS models) =
𝝐
𝝉𝑭
– Damkohlar Number (Da) =
𝝉𝑪𝒉𝒆𝒎
• Da > 1  Fast chemistry (thin flame structure)
• Da ≤ 1  Finite rate chemistry
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 Fast vs. Slow Chemistry

Fast Chemistry Slow Chemistry

• Da >> 1 • Da ~ 1
• Reactions limited by turbulent • Reactions limited by chemistry and
mixing turbulence interactions
• Selection of turbulence closure • Turbulence/chemistry interactions
model is important are important
• Combustion in • Selection of reaction mechanism is
• Furnaces important
• Boilers • Reactions associated with
• Gas Turbines • Pollutants formation
• Gasifiers, Incinerators • Ignition and Extinction
• Flares, etc. • Chemical Vapor Deposition (CVD)
• Non-Equilibrium Phenomenon
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• Air dissociation at hypersonic speed
 Overview of Combustion Modeling
Transport Equations Solid or Liquid Fuels
• Mass (DPM)
Fast Chemistry Models • Droplet/particle dynamics
• Momentum
• Eddy Dissipation model • DEM collisions
• Energy
• Premixed model • Evaporation
• Turbulence
• Equilibrium model • Devolatilization
• Steady Laminar Flamelet model • Heterogeneous reaction
Turbulence Models • Flamelet Generated Manifold model
• RANS: k-e, k-w, RSM….. • Partially premixed model Radiation Models
• LES, DES, SAS…. • P1, DO (Gray/Non-gray)

Chemistry Solution Finite Rate (Slow) Chemistry Models

• Laminar Finite rate model Real Gas Effects
• Species OR
• EDC • SRK, ARK, RK, PR, UDRGM
• Mixture fraction OR
• Composition PDF
• Progress variable OR
Pollutant Models
• ……
• NOx, Soot, SOx
Combusting Flow Solution Combustion Models Models for Additional Physics
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 Reacting Flow Models in Fluent 15.0
Flow Configuration
Non-Premixed Partially Premixed
Premixed Combustion
Combustion Combustion
Finite Rate/Eddy Dissipation Model (Species Transport)

Non-Premixed Equilibrium Partially Premixed Model

Premixed Combustion
Fast Chemistry Model Reaction Progress Variable
Model
Closures +
Mixture Fraction
Chemistry

Reaction Progress Mixture Fraction

Variable
Steady Laminar Flamelet Model
Finite Chemistry Flamelet Generated Manifold Model (Premixed/Diffusion)
Closures Unsteady Laminar Flamelet Model
Finite Rate Laminar Finite Rate Model
Chemistry Eddy-Dissipation Concept (EDC) Model
Models Composition PDF Transport Model

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 Additional Distinctive Capabilities
• Materials database
• Robust and accurate solver
• Solution-adaptive mesh refinement
– Conformal and hanging-node
• Industry-leading parallel performance
• Several chemistry acceleration tools for modeling detailed chemistry
• User-friendly GUI, post-processing and reporting
• Highly customizable through User Defined Functions
• Zone-based definition of volumetric and surface reaction mechanisms
– Reactions can be turned off/on in different fluid zones
– Allow different reaction mechanisms in different fluid zones
• Reacting Channel Model
– 1D model for modeling reactions within a bundle of tubes without resolving
the mesh inside them
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 Modeling Examples: Fast Chemistry Models
Gasifier

Furnace
Gas Turbine

CO mass fraction

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 Modeling Examples: Slow Chemistry Models
Reacting Rocket Plume CVD

Hydrogen auto-ignition
Velocity (m/s)

Reentry package
Flame Flashback Re-entry capsule
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 Non Dimensional Numbers
• Reynolds Number • Damkohler Number
𝑰𝒏𝒆𝒓𝒕𝒊𝒂𝒍 𝑭𝒐𝒓𝒄𝒆 𝝆 𝑼 𝑳 𝑴𝒊𝒙𝒊𝒏𝒈 𝑻𝒊𝒎𝒆 𝑺𝒄𝒂𝒍𝒆 𝑳 𝒌
𝑹𝒆 = = 𝑼 ~ 𝜺
𝑽𝒊𝒔𝒄𝒐𝒖𝒔 𝑭𝒐𝒓𝒄𝒆 𝝁 𝑫𝒂 = ~𝝆 𝝆
𝑪𝒉𝒆𝒎𝒊𝒄𝒂𝒍 𝑻𝒊𝒎𝒆 𝑺𝒄𝒂𝒍𝒆 𝒂𝒅 𝒂𝒅
𝑹𝒔𝒍𝒐𝒘 𝑹𝒔𝒍𝒐𝒘
– , U, L,  are characteristic density,
velocity, length and dynamic viscosity, – 𝝆𝒂𝒅  Adiabatic flame density
respectively – 𝑹𝒔𝒍𝒐𝒘  Slowest reaction rate at 𝑻𝒂𝒅 and
• e.g. Inlet conditions stoichiometric concentrations
– Turbulence models are valid at high Re – Gas phase turbulent combustion models valid
at high 𝑫𝒂

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 Non Dimensional Numbers (cont…)
• Mach Number • Boltzman Number
𝑪𝒐𝒏𝒗𝒆𝒄𝒕𝒊𝒐𝒏 𝑺𝒑𝒆𝒆𝒅 𝑳 𝑪𝒐𝒏𝒗𝒆𝒄𝒕𝒊𝒐𝒏 𝑯𝒆𝒂𝒕 𝑻𝒓𝒂𝒏𝒔𝒇𝒆𝒓 (𝝆𝑼𝑪𝒑 𝑻)𝒊𝒏𝒍𝒆𝒕
𝑴𝒂 = = 𝑩𝒐 = ~
𝑨𝒄𝒐𝒖𝒔𝒕𝒊𝒄 𝑺𝒑𝒆𝒆𝒅 𝒄 𝑹𝒂𝒅𝒊𝒂𝒕𝒊𝒐𝒏 𝑯𝒆𝒂𝒕 𝑻𝒓𝒂𝒏𝒔𝒇𝒆𝒓 𝝈 𝑻𝒂𝒅 𝟒

– Mixture fraction based models are valid –  Stefan-Boltzman constant

at Ma < 0.3 5.672 x 10-8 W/m2K4
• e.g. Incompressible flows – Assumes convection overwhelms conduction
• Karlovitz number – Radiation is important at Bo < 10
 chemical time scale
Ka  ~
sL0 /  Kolmogorov time scale
- Impact of the turbulence on the flame
structure
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