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15.1.4 Setting up Coal Simulations with the Coal Calculator Dialog Box

The Coal Calculator dialog box automates calculation and setting of the relevant input parameters for the Species, Discrete-Phase (DPM) and Pollutant models associated with coal combustion. It is available in the Species dialog box for the Species Transport model when the Eddy-Dissipation or Finite-Rate/Eddy-Dissipation turbulence-chemistry option is selected.

The inputs to the Coal Calculator dialog box are:

1.   Coal Proximate Analysis, which is the mass fraction of Volatile, Fixed Carbon, Ash and Moisture in the coal. ANSYS FLUENT will normalize the mass fractions so that they sum to unity.

2.   Coal Ultimate Anaysis, which is the mass fraction of atomic C, H, O, N and optionally S, in the Dry-Ash-Free (DAF) coal. ANSYS FLUENT will normalize the mass fractions so that they sum to unity.

3.   A choice of One-step or Two-step chemical mechanism. The one-step mechanism is,


 vol + \nu_{O_2} O_2 \rightarrow \nu_{CO_2} CO_2 + \nu_{H_2O} H_2O + \nu_{SO_2} SO_2 + \nu_{N_2} N_2 (15.1-3)

The two-step mechanism involves oxidation of volatiles to $CO$ in the first reaction and oxidation of $CO$ to $CO_2$ in the second reaction:


$\displaystyle vol + \nu_{O_2} O_2$ $\textstyle \rightarrow$ $\displaystyle \nu_{CO} CO + \nu_{CO_2} CO_2 + \nu_{H_2O} H_2O + \nu_{SO_2} SO_2 + \nu_{N_2} N_2$  
$\displaystyle CO + 0.5 O_2$ $\textstyle \rightarrow$ $\displaystyle CO_2$ (15.1-4)

The stochiometric co-efficients in Equations  15.1-3 and 15.1-4 are calculated from the ultimate and proximate analyses.

4.   An option to Include SO2. When this is enabled, an input for the atomic mass fraction of sulphur, S, appears in the ultimate analysis frame.

5.    Wet Combustion, which will enable the DPM Wet Combustion option by default in all injections created after the OK button is clicked in the Coal Calculator dialog box.

6.   The Coal Particle Material Name. A DPM combusting-particle material will be created with this name. The default name is coal-particle.

7.   The Coal As-Received HCV, where HCV denotes the Higher Calorific Value.

8.    Volatile Molecular Weight is the molecular weight of pure volatiles.

9.   The CO/CO2 Split in Reaction 1 Products can be used to specify the molar fraction of $CO$ to $CO_2$ in the first reaction of Equation  15.1-4. The default value of 1 implies that all carbon is reacted to $CO$, with no $CO_2$ produced.

10.   The High Temperature Volatile Yield. Enhanced devolatization at higher temperatures can cause the volatile yield to exceed the proximate analysis fraction. To model this, the actual Volatile fraction used is calculated as that specified in the Proximate Analysis input multiplied by the High Temperature Volatile Yield. The actual Fixed Carbon fraction is then calculated as one minus the sum of the actual Volatile, Ash and Moisture fractions.

11.    Fraction of N in Char (DAF). This input is used in calculating the split of atomic nitrogen for the Fuel NOx model.

12.    Coal Dry Density is used to calculate the Volume Fraction of liquid-water for the Wet Combustion option in the Injections dialog box.

When OK is clicked, ANSYS FLUENT makes the following changes:

1.   A Mixture material is created, named coal-volatiles-air, with a one or two step reaction mechanism as specified in the Mechanism option. If the Fluid material species ( $O_2, CO, CO_2$ etc.) do not exist, they are created. A Fluid material called coal-volatiles, is also created with a Standard State Enthalpy calculated from the ultimate and proximate analyses, as-received HCV and volatile molecular weight.

2.   A combusting-particle material is created with Volatile Component Fraction and Combustible Fraction calculated from the ultimate and proximate analyses. The Discrete Phase Model (DPM) is enabled.

3.   For the Fuel NOx model, the default fuel specie is set to vol, the char N conversion is set to NO, and the Fuel NOx Volatile and Char mass fractions are set according to the ultimate and proximate compositions. Note that even though some of the default Fuel NOx parameters are changed, the Fuel NOx model itself is not enabled.

4.   If Wet Combustion is selected, all subsequent injections that are created will have Wet Combustion enabled. The evaporation material will be set to water-liquid, and the volume fraction of water will be calculated from the Moisture mass fraction specified in the proximate analysis, and the Coal Dry Density. The Density for the combusting-particle in the Create/Edit Materials dialog box will also be set to Coal Dry Density.


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