Tutorials Manual

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Chemkin 4.1.1 Chapter 2: Combustion in Gas-phase Processes performed, with each run using a different specified value of the parameter, but otherwise retaining the values for other model inputs. The Parameter Study Facility provides an intuitive setup of the problem, combined with features in the Post- Processor specifically targeted for the parameter studies to better visualize the output. Parameter studies can be used for several purposes: To study the impact of varying inputs of operating conditions such as pressure or stream properties such as concentrations. To analyze the sensitivity of output to reaction rate parameters and transport properties, and to analyze the impact of uncertain parameters. To study the effect of varying domain size and grid resolution. The Parameter Study Facility allows several parameters to vary simultaneously. This might be useful, for instance, in analyzing the impact of certain reaction rate parameters for different pressures or concentrations. In this tutorial, simulations are performed with equivalence ratio as the varied parameter. The behavior of flames in fuel-lean and fuel-rich systems are of interest in several applications such as engine combustion. The problem uses the chemistry set described in Section 2.8. The project file is named flame_speed__parameter_study.ckprj. The data files for this project are located in the samples41\flame_speed\parametric_study directory. 2.3.6.2 Project Setup Most of the inputs are conceptually similar to the tutorial on flame speed calculation of methane/air flame in Section 2.3.5. On the Reactor Physical Properties panel, the pressure is specified as 1 atm. Mixture-averaged transport properties are used, with correction velocity formulation. The length of the domain is 2 cm. On the inlet panel, the reactant concentrations are specified in terms of equivalence ratio. The equivalence ratio is a measure of the fuel/oxidizer ratio, as compared with the stoichiometric value (explained further in Section 2.2). The fuel consists of pure propane, while the oxidizer consists of air. The stoichiometric products from combustion must be specified; however, the composition of the products need not be specified, since CHEMKIN determines it. © 2007 Reaction Design 40 RD0411-C20-000-001
Chapter 2: Combustion in Gas-phase Processes <strong>Tutorials</strong> <strong>Manual</strong> The base equivalence ratio is defined as 1.0. To set up the parameter study based on equivalence ratio, the adjacent icon is selected, and the window shown in Figure 2-17 appears. The parameter study can be populated by entering the Start and End value for the equivalence ratio, and selecting one of 4 options from the dropdown menu for the appropriate distribution of values between the beginning and end value specified, as shown below in Figure 2-17. In this tutorial, 9 values have been selected to provide a range of equivalence ratios of 0.8 – 1.2. • To modify one of the values, double-click it. • To delete a value, select it and press the Delete button. • Add a value by pressing the Populate button. • To clear the entire study, press the Clear button. Once the setup is filled out, click the Done button to complete the setup. Figure 2-17 Panel for Setup of Parameter Studies RD0411-C20-000-001 41 © 2007 Reaction Design
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