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Chemkin 4.1.1 Chapter 4: Materials Problems Figure 4-9 Cylindrical Channel Flow—Deposition Rates Comparison Figure 4-10 Cylindrical Channel Flow—Axial Gas Velocities Comparison 4.1.4 Deposition in a Rotating Disk Reactor 4.1.4.1 Project Description This user tutorial presents a model for the CVD of silicon from silane in a steady-state rotating disk reactor using the chemistry set described in Section 4.4.2. This is a fixed-surface temperature simulation that represents the experimental rotating-disk reactor used by Ho, Coltrin and Breiland, 34 (p. 155) with the conditions corresponding © 2007 Reaction Design 126 RD0411-C20-000-001
Chapter 4: Materials Problems <strong>Tutorials</strong> <strong>Manual</strong> to Figure 4 in that paper. The inlet gas is a dilute mixture of silane in helium. The use of a helium carrier gas, rather than hydrogen, favors the gas-phase decomposition reactions of silane. For this case, a surface temperature of 923 K (650° C) is used. This example has two continuations, where the silane partial pressure is increased. 4.1.4.2 Project Setup The project file is called rotating_disk__sih4_cvd.ckprj. The data files used for this sample are located in the samples\rotating_disk\sih4_cvd directory. This reactor diagram contains only one inlet and one rotating-disk CVD reactor. The properties of the inlet gas are described on the C1_Inlet panel. The inlet gas temperature is input on the Stream Property Data tab. An inlet gas velocity is usually not entered for a steady-state rotating disk simulation, as it is calculated from the spin rate, pressure, and gas-properties, but the user may override this value on the Reactor Physical Property tab, Basic sub-tab, if desired. The composition of the inlet gas is input on the Species-specific Property tab of the C1_Inlet panel. Note that the mole fractions do not add up to one, as the partial pressures (in Torr) have actually been entered. This is permitted, as the program will normalize the gas composition internally if the user does not do so in the CHEMKIN Interface. The Continuations panel is used to input the new compositions of the reactant gas mixture for the second and third simulations in this sample project. Parameters describing the reactor conditions are entered on the Reactor Physical Property tab, Basic sub-tab of the C1_Rotating Disk panel. The choice of a steadystate simulation solving the gas energy equation is entered here, as well as the use of multicomponent diffusion and thermal diffusion (the Soret effect). The temperature for the deposition surface (923 K), pressure (200 Torr), and disk rotation rate (450 rpm) are input on this tab. The other sub-tabs on the Reactor Physical Property tab are for options that are not used in this example. The Initial Grid Property tab of the Reactor Physical Property tab allows specification of the locations of the deposition surface (x = 0, default) and the end axial location where the gas enters (6.2 cm). Grid parameters are specified on this tab. This reactor model includes adaptive gridding, and the use of a relatively-low value for the initial number of grid points is recommended. The Species-specific Data tab allows the specification of initial guesses for the gas composition at the inlet, adjacent to the surface, or maximum mole fractions for intermediate species, none of which are used in this example. However, estimated values for the surface site fractions and bulk activity are provided. A good initial guess for these values can be very helpful in attaining convergence. RD0411-C20-000-001 127 © 2007 Reaction Design
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Chemkin 4.1.1 Contents Table of Con
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Chemkin 4.1.1 Tables List of Tables
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Tutorials Manual 4.1.1 Figures List
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Chemkin 4.1.1 1 1 Introduction The
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