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Chemkin 4.1.1 Chapter 4: Materials Problems Figure 4-23 Time-dependent ALD Simulations—O Mole Fractions Comparison The O atom mole fractions in Figure 4-23 from the stagnation flow simulations agree well with those from the PSR simulations. Within the limits of this simple deposition chemistry, this directly leads to the good agreement for deposition thickness shown in Figure 4-24. The agreement between the two models, in this case, results from the fitting of the gas-phase temperature in the PSR simulation to reproduce the O atom mole fractions in the higher-dimensional simulation. This kind of a calibration allows the faster-running PSR simulation to be used to quickly explore a wide range of pulse sequences and other experimental conditions of interest, before returning to higherdimensional simulations for more careful study. Figure 4-24 Time-dependent ALD Simulations—Deposition Thickness Comparison © 2007 Reaction Design 140 RD0411-C20-000-001
Chapter 4: Materials Problems Tutorials Manual 4.3 Plasma Etching The CHEMKIN software includes a number of special features for modeling plasmas, most of which are demonstrated in these examples. For treating non-equilibrium plasmas, the plasma models allow you to specify different temperatures for the neutral gas, electrons, ions, and surfaces. A gas-phase reaction rate can be designated to depend on the electron temperature rather than the default neutral gas temperature. An electron-impact reaction can also be designated to involve a specified energy loss per collision. This option is used to describe excitation energy losses for electrons in solving the electron energy equation, without explicitly defining each vibrationally or electronically excited-state as a separate species within the corresponding thermodynamic data. For surface reactions, ion-assisted reactions can have yields that depend on the ion energy. Such reactions can also be designated as Bohm reactions, which means that the ion flux is limited by the Bohm velocity of the ions, rather than by the ion's thermal speed. The implementation of the Bohm criterion is described in detail in Section 8.5.3 of the CHEMKIN Theory Manual. This factor has been introduced to account for the fact that the ion interaction with the surface will be subject to transport limitations, such that a gradient near the walls in the ion density will occur. A zero-dimensional model cannot capture this effect, such that a Bohm-flux correction model is used. 4.3.1 Steady-state Chlorine Plasma 4.3.1.1 Project Description This user tutorial provides an example of modeling a low-pressure plasma reactor as a steady-state Perfectly Stirred Reactor, using the chlorine plasma chemistry set described in Figure 4.4.5. The plasma pressure is 5 mtorr and pure chlorine gas flows into the reactor at 35 sccm. The energy equation and the electron energy equation are solved, and a heat-transfer correlation is used to account for heat loss through the wall of the reactor. 4.3.1.2 Project Setup The project file is called plasma_psr__chlorine.ckprj. The data files used for this sample are located in the samples\plasma_psr__chlorine directory. This reactor diagram contains one gas inlet, one plasma PSR, and one outlet. RD0411-C20-000-001 141 © 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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List of Figures Tutorials Manual 2-
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List of Figures Tutorials Manual 4-
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Chemkin 4.1.1 1 1 Introduction The
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Chapter 1: Introduction Tutorials M
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Chemkin 4.1.1 2 2 Combustion in Gas
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Chapter 2: Combustion in Gas-phase
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