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D.

Reactors in HYSYS
Gibbs Reactors
A feed containing 3 kg/mol-hr Ethane and 1.5 kg-mol/hr water entering at 1 atm and 350 C is to be cracked into Ethylene and Hydrogen using a Gibbs reactor. C 2 H 6 Cat . C 2 H 4 + H 2 1. 2. Initial Setup Start a new case in HYSYS Select Water, Ethylene/Ethene, Ethane, and Hydrogen as the components. 3. Since these components are gasses at high temperatures, select the SRK fluid package. 4. Select the reaction tab of the Simulation Basis Manager and click on Add Reaction.

5. Since Gibbs reactions are Equilibrium reactions, select Equilibrium from the menu. 6. When the Equilibrium Reaction window pops up, select the components which are present during the reaction, and enter in guesses for their Stoichiometric Coefficient. Keep in mind that the reactant, Ethane, must have a negative coefficient. Click Balance to check the guesses. Notice status of the reaction goes from not ready to ready. Close the window.

7. Click on Add Set and then add Rxn 1 to the Active List.

8. Click Add to FP, make sure that PP: SRK is selected and click Add Set to Fluid Package. Now the simulation is setup. Click on Enter Simulation Environment to goto the PFD and start the simulation.

Placing and Running the Reactor 1. Place 3 material streams for the feed, liquid outlet and vapor outlet, and rename the streams respectively.

2. Click on the General Reactors icon in the Simulation Toolbar, which brings up a list of 3 general types of reactors. Select the Gibbs reactor and place it in the PFD.

3. Double click on the Gibbs Reactor to bring up its connection menu. Connect the Feed to inlet and the liquid and vapor streams to their appropriate locations. Note: Check the Reactions tab, and as long as Gibbs Reactions Only is selected, no further specifications are necessary.

4. Specify the feed stream. It is at 1 atm, 350 C, has a ethene molar flow rate of 3 kg-mols/hr, and a water molar flow rate of 1.5 kg-mols/hr. Heated and Cooled Gibbs Reactors Once the feed is specified enough data is entered and the reaction is simulated. But a quick check of the workbook leads to very dismal conversion. For cracking reactions, temperatures around 1000 C are needed. 1. One way to increase conversion is to specify the reactor inlet at a high temperature. 2. HYSYS also has the ability to simulate heated or cooled reactors. To do this, add an Energy stream to the PFD. Then Double click on the Gibbs reactor and select that energy stream to the Optional Energy Hook-up.

3. Now that the energy stream is selected, the temperature of one of the outlet streams has to be selected to determine how much energy the reactor needs. Modify the outlet temperature until a desirable conversion is found

Conversion Reactions
A stream of pure methane at 400 bar and 87 C and flowing at 32 kg/hr enters in a reactor, where it undergoes complete combustion. There is excess air during in the reactor and the conversion is 95%. CH 4 + O2 CO2 + H 2 O 1. 2. Initial Setup Start a new case in HYSYS Select methane, oxygen, air, water, and carbon-dioxide as the components. 3. Since these components are all gasses, select the Peng-Robinson fluid package. 4. Select the reaction tab of the Simulation Basis Manager and click on Add Reaction.

5. Since this is a conversion reaction, select it from the list.

6. Select all of the components that are present for the combustion of methane, and enter in guesses for their stoichiometric coefficients, keeping in mind that the reactants, 4

methane and air, must have negative coefficients. Then click Balance to correct the coefficient guesses.

7. Now the conversion needs to be specified. Click the basis tab, and enter in 95 under Co. Take note that the conversion has to be in percentage form, not decimal form. The reaction now goes from Not Ready to Ready. Note: You will see a conversion equation below the component windows that looks like Conversion (%) = Co + C1*T + C2*T^2; here the conversion is just a straight 95% conversion so only a Co is needed, however, if there was a 1st &/or 2nd order temperature dependent conversion values for C1 and C2 would need to be added.

8. Click on Add Set and add Rxn 1 to the Active List.

9. Click Add to FP, make sure that PP: Peng-Robinsion is selected and click Add Set to Fluid Package. Now the simulation is setup. Click on Enter Simulation Environment.

Placing and Running the Reactor 1. Place 4 material streams for the methane, air, liquid outlet and vapor outlet, and rename the streams respectively.

2. Click on the General Reactors icon in the Simulation Toolbar, which brings up a list of 3 general types of reactors. Select the Conversion reactor and place it in the PFD.

3. Double click on the Conversion Reactor to bring up its connection menu. Connect the methane and air streams the inlet and the liquid and vapor streams to their appropriate outlets.

4. Now the reaction has to be specified. Click on the Reactions tab. Select Global Reaction Set. Check to see if the appropriate reaction, Rxn-1, has automatically been selected.

5. Specify the propane and air streams. The propane enters the reactor at 400 bar, 87 C, and has a flow rate of 37 kg/hr. The air enters in at 1 atm, 25 C, and is in excess with the propane, so has a flow rate of 75 kg/hr. 6. Now that the feeds are specified, the specification is complete and Note: HYSYS also has the ability to simulate heated or cooled conversion reactors. Although not necessary in this case, the reactors can be heated or cooled to aid with the kinetics of the reaction. To simulate those types of reactors, follow the process to do this to a Gibbs reactor.

Equilibrium Reactors
A 100 kg-mol/hr feed containing 50 mol% Nitrogen and 50 mol% Hydrogen entering at 1 atm and 50 C is to undergo an equilibrium reaction to produce ammonia. Initial Setup 1. Start a new case in HYSYS 2. Select Nitrogen, Hydrogen, and Ammonia as the components. 3. Since these components are all gasses, select the Peng-Robinson fluid package. 4. Select the reaction tab of the Simulation Basis Manager and click on Add Reaction.

5. Since Gibbs reactions are Equilibrium reactions, select Equilibrium from the menu. 6. When the Equilibrium Reaction window pops up, select the components which are present during the reaction, and enter in guesses for their Stoichiometric Coefficient. Keep in mind that the reactants, Nitrogen and Hydrogen, must have a negative coefficient. Click Balance to check the guesses. Notice status of the reaction goes from not ready to ready. Next, click the Basis tab.

7. The basis tab gives us some options on how the reaction can be solved. For most cases, using the Gibbs Free energy approach is acceptable, as it allows the simulation to go forward without any additional data required. Generally speaking it gives very close results. If there is experimental or tabulated equilibrium data is available, they can be entered in as well in the steps below.

If Keq is Known If the Equilibrium Constant Keq is known it can be entered into HYSYS directly by selecting the Fixed Keq option. Then select the Keq tab. Once there enter in the Keq constant directly in, and the reaction is ready.

If a Ln(Keq) equation is known If a temperature dependant Ln(Keq) equation is known, itcan be entered into HYSYS as well. Select Ln(Keq) and then select the Keq tab. Once there enter in the equation constants can be entered in to the A, B, C etc tabs as shown in the equation to the right.

If the reaction is in HYSYS's Reaction Library HYSYS has tabulated equilibrium data for several common equilibrium reactions. When setting up an equilibrium reaction, always check to see if the reaction is in the reaction library, as it is the most accurate method of solving. To use a reaction from the equilibrium library, select the Keq vs. T table option, and then select the Library tab. Once there, scroll through the list of reactions and check to see if it is there. If it is there, select it and press Add Library Reaction

Final Setup of the Reaction 1. Click on Add Set and then add Rxn 1 to the Active List.

2. Click Add to FP, make sure that PP: SRK is selected and click Add Set to Fluid Package. Now the simulation is setup. Click on Enter Simulation Environment to goto the PFD and start the simulation.

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3. Place 3 material streams for the feed, liquid outlet and vapor outlet, and rename the streams respectively.

4. Click on the General Reactors icon in the Simulation Toolbar, which brings up a list of 3 general types of reactors. Select the Equilibrium reactor and place it in the PFD.

5. Double click on the Equilibrium Reactor to bring up its connection menu. Connect the Feed to inlet and the liquid and vapor streams to their appropriate locations.

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6. Select the Reactions Tab, and then select the appropriate reaction and reaction set. 7. Specify the feed stream. It is at 1 atm, 350 C, has a ethene molar flow rate of 3 kg-mols/hr, and a water molar flow rate of 1.5 kg-mols/hr. Heated and Cooled Equilibrium Reactors Once the feed is specified enough data is entered and the reaction is simulated. But a quick check of the workbook leads to very dismal ammonia conversion. This is because this equilibrium reaction favors the product at cold temperatures. 1. HYSYS also has the ability to simulate heated or cooled reactors. To do this, add an Energy stream to the PFD. Then Double click on the Gibbs reactor and select that energy stream to the Optional Energy Hook-up.

2. Now that the energy stream is selected, the temperature of one of the outlet streams has to be selected to determine how much energy the reactor needs. Modify the outlet temperature until a desirable conversion is found

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