Combustion and Reactions Chapter 2: Laminar premixed flames

This chapter introduces laminar premixed combustion and the physical mechanisms governing flame propagation. It explains flame structure, flame speed, stabilization mechanisms, and combustion regimes. The chapter also connects combustion theory to CFD implementation, including combustion models in ANSYS Fluent, detailed chemistry mechanisms, and chemistry acceleration techniques.

 

1. Premixed Combustion Fundamentals

Definition

In premixed combustion, fuel and oxidizer are mixed at the molecular level before ignition .

After ignition, a flame front propagates through the mixture, converting reactants into products.

Key features:

  • Reactants already mixed

  • Flame propagates into fresh mixture

  • Reaction controlled by chemistry and molecular diffusion

Because mixing occurs before ignition, mixing is not the dominant process controlling combustion.

Why Premixed Combustion is Used

Premixed combustion is widely used because it allows control of the maximum flame temperature.

Lower flame temperatures can be achieved by:

  • Lean mixtures

  • Dilution with exhaust gases

This reduces NOx emissions, which are strongly temperature dependent .

Main Challenges

Premixed flames present several engineering difficulties:

Flashback

The flame propagates upstream into the fuel supply when:

Flow velocity < flame propagation speed.

Blowoff

The flame is pushed downstream and extinguished when:

Flow velocity > flame propagation speed.

Combustion instabilities

Pressure waves interact with heat release, producing oscillatory behavior that may damage the combustor


2. Flame Types in Combustion Systems

Three main combustion configurations exist.

Premixed Flames

Fuel and oxidizer are mixed before ignition.

Characteristics:

  • Flame propagates into reactants

  • Flame speed determined by chemistry and diffusion

  • Common in gas turbines and engines

Non-Premixed (Diffusion) Flames

Fuel and oxidizer enter separately.

Combustion occurs where mixing happens.

Characteristics:

  • Reaction controlled by mixing rate

  • Flame located where mixture becomes stoichiometric

Partially Premixed Flames

Combination of both mechanisms.

Some reactants are premixed, while additional mixing occurs in the flow field

This configuration appears frequently in real combustors.


3. Structure of a Laminar Premixed Flame

A laminar premixed flame contains two main zones.

Preheat Zone

Heat diffuses from burned gases into the unburned mixture.

Effects:

  • Temperature increases gradually

  • Chemical reactions remain weak

  • Radicals begin to appear

Heat diffusion prepares the mixture for ignition.

Reaction Zone

The main chemical reactions occur.

Characteristics:

  • Rapid fuel oxidation

  • Strong heat release

  • Large temperature increase

Products such as CO₂ and H₂O are formed.

This region is extremely thin, often millimeters or less

Burned Gas Region

After the reaction zone:

  • Combustion is complete

  • Temperature reaches the adiabatic flame temperature

  • Composition becomes stable


4. Flame Speed

The laminar flame speed is a key property of premixed combustion.

It represents the velocity at which the flame propagates into the fresh mixture.

It depends on:

  • Chemical kinetics

  • Molecular diffusion

  • Mixture composition

  • Pressure

  • Temperature

In steady conditions, flame speed balances the incoming flow velocity.

This balance explains the conical Bunsen flame shape seen in burners

Flame Thickness

Flame thickness is the distance across the flame where:

  • Temperature rises from reactant value to product value.

Typical order of magnitude:

millimeters or smaller.

Capturing the internal flame structure requires very fine meshes, which is often impractical in CFD simulations


5. Deflagration vs Detonation

Two combustion regimes exist.

Deflagration

Typical premixed flame.

Characteristics:

  • Subsonic propagation

  • Driven by heat diffusion

  • Flame speed controlled by chemistry

Most industrial flames belong to this regime.

Detonation

Supersonic combustion wave.

Characteristics:

  • Propagation driven by shock waves

  • Extremely fast reactions

  • Strong pressure increase

These require compressible solvers in CFD simulations


6. Progress Variable

Instead of tracking individual species, combustion progress can be described by a progress variable.

The progress variable represents the fraction of the reaction completed.

Properties:

  • 0 → unburned mixture

  • 1 → fully burned products

It can also be interpreted as:

  • normalized temperature

  • fraction of released chemical energy

This variable is widely used in combustion modeling.


7. Flame Structure in Progress Space

The reaction rate varies strongly with the progress variable.

Typical behavior:

  • Low reaction rates in fresh mixture

  • Maximum reaction rate in the flame zone

  • Zero reaction rate in products

High activation energy reactions produce very thin reaction zones, concentrating combustion in narrow regions.

This explains why resolving flames numerically is difficult.


8. Combustion Modeling in CFD

Combustion simulations solve several coupled equations:

  • Mass conservation

  • Momentum

  • Energy

  • Species transport

  • Turbulence models

These equations must be combined with chemical kinetics models

Combustion Model Categories

Fluent combustion models fall into two main groups

Fast Chemistry Models

Assume chemical reactions occur instantly.

Examples:

  • Eddy Dissipation model

  • Premixed combustion model

  • Equilibrium model

  • Flamelet models

Useful when mixing limits reaction rate.

Finite Rate (Slow) Chemistry Models

Explicitly solve reaction kinetics.

Examples:

  • Laminar finite rate

  • Eddy Dissipation Concept (EDC)

  • PDF transport models

Necessary for:

  • pollutant prediction

  • ignition/extinction

  • slow chemistry processes


9. Detailed Chemical Mechanisms

Real combustion chemistry is extremely complex.

Typical mechanisms contain:

  • tens to hundreds of species

  • hundreds of reactions

Example:

Methane combustion may involve more than 100 reactions.

Each species participates in multiple reactions, creating complex chemical networks.

Mechanism Types

Three main levels of chemical mechanisms exist.

Detailed mechanisms

  • Large number of species

  • High accuracy

  • High computational cost

Skeletal mechanisms

  • Reduced number of species

  • Important reactions retained

Reduced mechanisms

  • Simplified models

  • Assumptions such as quasi-steady species

There is always a trade-off between:

accuracy vs computational cost.


10. CHEMKIN Mechanisms in CFD

Detailed chemical mechanisms are typically imported using CHEMKIN format.

A CHEMKIN model includes:

  1. Reaction mechanism file

  2. Thermodynamic database

  3. Transport property database .

This approach allows Fluent to simulate complex combustion chemistry without manually defining hundreds of reactions.


11. Chemical Stiffness

Combustion chemistry exhibits very different reaction time scales.

Typical range:

10⁻¹² s to 1 s

Examples:

  • Radical reactions → extremely fast

  • Pollutant formation → very slow

These differences create stiff systems of equations, which are difficult and expensive to solve numerically.


12. Chemistry Acceleration Techniques

Fluent includes several tools to reduce computational cost.

ISAT (In-Situ Adaptive Tabulation)

A runtime chemistry database.

Instead of recomputing chemistry every time:

  • previously computed states are stored

  • similar states are retrieved using interpolation

Typical acceleration:

10× to 1000× faster calculations

Dynamic Mechanism Reduction

Automatically removes unimportant reactions during the simulation.

Benefits:

  • smaller chemical system

  • faster integration

Chemistry Agglomeration

Groups similar chemical states to reduce computational complexity.


13. Dimensionless Numbers in Combustion

Several dimensionless numbers characterize combustion regimes.

Reynolds Number

Determines whether the flow is laminar or turbulent.

High Reynolds number → turbulent combustion.

Damköhler Number

Ratio of flow time to chemical time.

Large Damköhler number: reaction faster than mixing.

Karlovitz Number

Measures the influence of turbulence on the flame structure.

Mach Number

Determines compressibility effects.

Low Mach numbers typically allow pressure-based solvers


Engineering Interpretation Framework

When analyzing premixed combustion problems:

  1. Is the flame laminar or turbulent?

  2. Is combustion mixing-limited or chemistry-limited?

  3. What mechanism complexity is required?

  4. Can chemistry acceleration tools be used?

  5. Is the flame thickness resolved by the mesh?

These decisions determine the modeling strategy.


Study Priorities

Focus especially on:

  • Premixed flame structure

  • Laminar flame speed

  • Deflagration vs detonation

  • Progress variable concept

  • Combustion modeling approaches in CFD

  • Detailed vs reduced chemical mechanisms

  • Chemistry stiffness and acceleration methods


Key Takeaways

  • Premixed flames propagate into fresh mixtures at a characteristic flame speed.

  • Flame structure consists of preheat and reaction zones.

  • Combustion modeling couples fluid mechanics, chemistry, and thermodynamics.

  • Detailed chemical mechanisms create stiff systems of equations.

  • CFD simulations rely on reduced mechanisms and chemistry acceleration techniques.

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Combustion and Reactions Chapter 1: Chemical Reaction and Transport