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3
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Growth of GaAs at the surface by the adsorption of gas phase species and the subsequent reaction of the surface-bonded molecular fragments. These surface reactions involve the Ga and As species. SA and SG represent surface sites, corresponding to dangling bonds of As or Ga atoms, respectively.
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Click Add.
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Click
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Browse to the model’s Application Libraries folder and double-click the file gaas_cvd_parameters.txt.
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In the Settings window for Reaction Engineering, type Reaction Engineering - Gas Phase Reactions, Full Set (re) in the Label text field.
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In the Settings window for Reversible Reaction Group, click to expand the CHEMKIN Import for Kinetics section.
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Select the Import CHEMKIN data checkbox.
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Click
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Browse to the model’s Application Libraries folder and double-click the file gaas_cvd_reaction_kinetics.txt.
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Click
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In the Model Builder window, expand the Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) (re) > Species Group 1 node, then click Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) (re).
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In the Settings window for Reversible Reaction Group, locate the CHEMKIN Import for Kinetics section.
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Clear the Import CHEMKIN data checkbox.
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Click to expand the Move Reaction and Species section. In the Move reaction (with the number) from table text field, type 9.
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From the list, choose Solvent.
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In the Model Builder window, expand the Gas Phase Concentrations, Full Set (re) node, then click Global 1.
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In the Settings window for Global, click Replace Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) > re.c_GaC6H15 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) > re.c_GaC4H10 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) > re.c_GaC2H6 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) > re.c_GaH2 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) > re.c_C2H4 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) > re.c_C2H5 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) > re.c_C2H6 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Full Set (re) > re.c_CH4 - Concentration - mol/m³.
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In the Settings window for Reaction Engineering, type Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) in the Label text field.
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In the Model Builder window, expand the Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) (re2) node.
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Go to the Add Study window.
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Find the Physics interfaces in study subsection. In the table, clear the Solve checkbox for Reaction Engineering - Gas Phase Reactions, Full Set (re) (re).
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Click the Add Study button in the window toolbar.
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In the Settings window for 1D Plot Group, type Gas Phase Concentrations, Reduced Set (re2) in the Label text field.
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In the Model Builder window, expand the Gas Phase Concentrations, Reduced Set (re2) node, then click Global 1.
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In the Settings window for Global, click Replace Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) > re2.c_GaC6H15 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) > re2.c_GaC4H10 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) > re2.c_GaC2H6 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) > re2.c_GaH2 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) > re2.c_C2H4 - Concentration - mol/m³.
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Click Add Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 1 (comp1) > Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) > re2.c_C2H5 - Concentration - mol/m³.
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Select the object r1 only.
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Select the object r2 only.
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Go to the Add Physics window.
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Find the Physics interfaces in study subsection. In the table, clear the Solve checkboxes for Study (re) and Study (re2).
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Click the Add to Component 2 button in the window toolbar.
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In the Settings window for Reversible Reaction Group, click to expand the CHEMKIN Import for Kinetics section.
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Select the Import CHEMKIN data checkbox.
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Click
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Browse to the model’s Application Libraries folder and double-click the file gaas_cvd_reaction_kinetics.txt.
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Browse to the model’s Application Libraries folder and double-click the file gaas_cvd_transp.txt.
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In the Settings window for Species Thermodynamics, click to expand the CHEMKIN Import for Thermodynamic Data section.
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Browse to the model’s Application Libraries folder and double-click the file gaas_cvd_thermo.txt.
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Click
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In the Model Builder window, under Component 2 (comp2) > Chemistry (chem) click Reversible Reaction Group 1.
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In the Settings window for Reversible Reaction Group, locate the CHEMKIN Import for Kinetics section.
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Clear the Import CHEMKIN data checkbox.
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Click to expand the Move Reaction and Species section. In the Move reaction (with the number) from table text field, type 9.
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Click
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From the list, choose Solvent.
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Select the Keep concentration/activity constant checkbox.
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Go to the Add Physics window.
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Find the Physics interfaces in study subsection. In the table, clear the Solve checkboxes for Study (re) and Study (re2).
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Click the Add to Component 2 button in the window toolbar.
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Click OK.
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In the Settings window for Transport of Diluted Species, click to expand the Advanced Settings section.
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In the Concentrations (mol/m³) table, enter the following settings:
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Find the Bulk species subsection. From the Species solved for list, choose Transport of Diluted Species.
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Find the Surface species subsection. In the table, enter the following settings:
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In the Model Builder window, under Component 2 (comp2) > Transport of Diluted Species (tds) click Fluid 1.
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Locate the Reaction Rates section. From the RcGaC4H10 list, choose Reaction rate for species GaC4H10 (chem).
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Go to the Add Physics window.
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Find the Physics interfaces in study subsection. In the table, clear the Solve checkboxes for Study (re) and Study (re2).
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Click the Add to Component 2 button in the window toolbar.
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Go to the Add Physics window.
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Find the Physics interfaces in study subsection. In the table, clear the Solve checkboxes for Study (re) and Study (re2).
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Click the Add to Component 2 button in the window toolbar.
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In the Model Builder window, under Component 2 (comp2) > Laminar Flow (spf) click Fluid Properties 1.
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From the list, choose Fully developed flow.
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Select the Normal flow checkbox.
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In the Solve for column of the table, under Component 2 (comp2) > Multiphysics, clear the checkboxes for Nonisothermal Flow 1 (nitf1) and Reacting Flow, Diluted Species 1 (rfd1).
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In the Solve for column of the table, under Component 2 (comp2) > Multiphysics, clear the checkboxes for Nonisothermal Flow 1 (nitf1) and Reacting Flow, Diluted Species 1 (rfd1).
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Click
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Go to the Add Study window.
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Find the Physics interfaces in study subsection. In the table, clear the Solve checkboxes for Reaction Engineering - Gas Phase Reactions, Full Set (re) (re) and Reaction Engineering - Gas Phase Reactions, Reduced Set (re2) (re2).
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Click the Add Study button in the window toolbar.
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Select the Show units checkbox.
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Click
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In the Settings window for 1D Plot Group, type Concentration Profiles GaC6H15 and GaH2 in the Label text field.
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Click Replace Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 2 (comp2) > Transport of Diluted Species > Species cGaC6H15 > cGaC6H15 - Molar concentration, cGaC6H15 - mol/m³.
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Click Replace Expression in the upper-right corner of the x-Axis Data section. From the menu, choose Component 2 (comp2) > Geometry > Coordinate > x - x-coordinate.
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Clear the Solution checkbox.
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In the Model Builder window, right-click Concentration Profiles GaC6H15 and GaH2 and choose Line Graph.
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Click Replace Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 2 (comp2) > Transport of Diluted Species > Species cGaH2 > cGaH2 - Molar concentration, cGaH2 - mol/m³.
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Click Replace Expression in the upper-right corner of the x-Axis Data section. From the menu, choose Component 2 (comp2) > Geometry > Coordinate > x - x-coordinate.
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Clear the Solution checkbox.
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Locate the Plot Settings section.
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Select the y-axis label checkbox. In the associated text field, type Molar concentration (mol/m<sup>3</sup>).
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In the Settings window for 1D Plot Group, type Concentration Profile AsH3 Change in the Label text field.
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In the Settings window for Line Graph, click Replace Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 2 (comp2) > Transport of Diluted Species > Species cAsH3 > cAsH3 - Molar concentration, cAsH3 - mol/m³.
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In the Title text area, type Change in arsine, AsH<sub>3</sub>, concentration compared to initial conditions in the reactor.
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Click Replace Expression in the upper-right corner of the x-Axis Data section. From the menu, choose Component 2 (comp2) > Geometry > Coordinate > x - x-coordinate.
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In the Settings window for 1D Plot Group, type Diffusivities vs. Temperature in the Label text field.
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Click Replace Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 2 (comp2) > Transport of Diluted Species > Species cGaC6H15 > tds.Dav_cGaC6H15 - Average diffusion coefficient - m²/s.
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Click Replace Expression in the upper-right corner of the x-Axis Data section. From the menu, choose Component 2 (comp2) > Heat Transfer in Fluids > Temperature > T - Temperature - K.
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Clear the Solution checkbox.
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Click Replace Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 2 (comp2) > Transport of Diluted Species > Species cAsH3 > tds.Dav_cAsH3 - Average diffusion coefficient - m²/s.
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Click Replace Expression in the upper-right corner of the x-Axis Data section. From the menu, choose Component 2 (comp2) > Heat Transfer in Fluids > Temperature > T - Temperature - K.
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Clear the Solution checkbox.
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In the Settings window for Line Graph, click Replace Expression in the upper-right corner of the y-Axis Data section. From the menu, choose Component 2 (comp2) > Heat Transfer in Fluids > Material properties > ht.kmean - Mean effective thermal conductivity - W/(m·K).
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Click Replace Expression in the upper-right corner of the x-Axis Data section. From the menu, choose Component 2 (comp2) > Heat Transfer in Fluids > Temperature > T - Temperature - K.
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Go to the Result Templates window.
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In the tree, select Study 2D Model/Solution 3 (4) (sol3) > Transport of Diluted Species > Plot array: Concentrations, GaC4H10, C2H5, H, C2H4 (tds) and Study 2D Model/Solution 3 (4) (sol3) > Transport of Diluted Species > Plot array: Concentrations, AsH3, GaH2, GaC2H6, GaC6H15 (tds).
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Click the Add Result Template button in the window toolbar.
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In the Model Builder window, expand the Plot array: Concentrations, AsH3, GaH2, GaC2H6, GaC6H15 (tds) node, then click Surface, GaC2H6.
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In the Model Builder window, expand the Results > Plot array: Concentrations, GaC4H10, C2H5, H, C2H4 (tds) node, then click Surface, GaC4H10.
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In the Model Builder window, under Results, Ctrl-click to select Concentration, GaC4H10 (tds), Concentration, C2H5 (tds), Concentration, H (tds), Concentration, C2H4 (tds), Concentration, AsH3 (tds), Concentration, GaH2 (tds), and Concentration, GaC2H6 (tds).
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Right-click and choose Delete.
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