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Chemkin 4.1.1 Chapter 4: Materials Problems Figure 4-2 Chlorosilane CVD—Mole Fractions 4.1.2 PSR Analysis of Steady-state Thermal CVD 4.1.2.1 Project Description This user tutorial presents a model for the CVD of silicon nitride in a steady-state PSR, using the chemistry set described in Section 4.4.1. The process operates at a low pressure of 1.8 Torr, and a high temperature of 1440 C, which makes it reasonable to approximate this system as a PSR. In the PSR model, the CVD reactor is described using a volume, surface area, and gas flow rate. This is a fixedtemperature simulation that uses continuations to see the effects of changing the SiF 4 /NH 3 ratio in the input gas. It also uses sensitivity and rate-of-production (ROP) options to analyze the chemistry occurring in the system. 4.1.2.2 Project Setup The project file is called psr__cvd.ckprj. The data files used for this sample are located in the samples\psr\cvd directory. This reactor diagram contains only one inlet, one Perfectly Stirred Reactor, and an output Product icon. The inlet flow rate (11300 sccm, standard cubic centimeters per minute) is input on the Stream Property Data tab of the Inlet Stream panel. The inlet gas composition is input on the Species-specific Property tab of the Inlet Stream panel. © 2007 Reaction Design 118 RD0411-C20-000-001
Chapter 4: Materials Problems <strong>Tutorials</strong> <strong>Manual</strong> The constant reactor temperature (1440 C), pressure (2.368E-3 atm), volume, and internal surface area are input on the Reactor Physical Property tab of the (C1_) PSR panel. In this sample problem, no estimated gas mole fractions are input on the Initial Gas Fraction sub-tab of the Species-specific tab of the (C1_) PSR panel. This is not a restart problem, so the absence of a solution estimate for the gas-phase species causes the equilibrium composition to be calculated at 1713 K and used as a starting point for the iterations. However, solution estimates for the surface site concentrations and bulk phase activities are input on the corresponding sub-tabs of the Speciesspecific tab of the (C1_) PSR panel. The Bulk-phase-specific Data tab of the (C1_) PSR panel does not have input values because this is a deposition rather than an etching system. The Output Control tab of the Output Control panel specifies that a threshold of 0.001 should be used for filtering A-factor sensitivities, while a threshold of 0.01 should be used for ROP. These are the default values in determining what gets printed in the output file and saved in the XML Solution File. The check box for indicating that growth rate sensitivities should be calculated and saved is on this tab, as are similar boxes to choose that sensitivities or ROP for all species should be calculated and stored. These latter options should be used with care for large mechanisms, as they can result in very large output and solution files. The Species Sensitivity and ROP tab allows the user to specify that sensitivities should be calculated and saved for only particular species, in this case HF, SiF 4 and NH 3 . Also on this table are choices for printing ROP information for particular species in the output file. The Continuations panel has input specifying four more simulations to be done with increasing SiF 4 /NH 3 ratios. RD0411-C20-000-001 119 © 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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Chemkin 4.1.1 2 2 Combustion in Gas
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Tutorials Manual

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