Complete Simulation in Pro II Tutorial Hydrogen from Switchgrass Conversion

Department of Chemical Engineering Washington State University

By

Byeongwan Kwon Jon Thomle

Introduction
Switchgrass is a biomass with a very high potential for biofuel conversion. Using thermochemical processes pure hydrogen can be produced in large quantities. The process of converting biomass to biofuels incorporates five different reactors. First a gasification reactor such as a fluidized bed reactor is used to convert the biomass into hydrocarbon vapor such as hydrogen, methane, ethane, ethylene, and benzene. Next, a reform reactor is used to convert the hydrocarbons into hydrogen and carbon dioxide to increase the yield of hydrogen. The shift reactor is than used to convert carbon monoxide and water into hydrogen and carbon dioxide. The hydrogen is than separated from the rest of the vapors using a pressure swing absorption reactor. The waste gases are than converted a toxic state into carbon dioxide and water.

Problem:
Model the process of switchgrass conversion to hydrogen using 20,000 kg/hr for your switchgrass feed at a temperature of 15C and a pressure of 310 kPa. The product hydrogen must be 100 percent pure without any toxic discharges to the atmosphere. Gasification Reaction 208.3 Swithchgrass + 158.8 O2 125.127 H2O + 275.6 H2 + 240 CO + 310.68 CO2 + 116.28 CH4 + 5.8 C2H6 + 6.48 C2H4 +4.05 C6H6 +8.8 NH3 + 0.54 H2S Reform Reaction 65.86 CO2 + 69.64 H20 +88.51 CH4 + 5.57 C2H6 + 6.25 C2H4 + 3.94 C6H6 287.43 H2 + 201.4 CO Shift Reaction CO + H2O CO2 + H2 Combustion Reaction 20 CH4 + 10 N2 + 25 O2 20 CO2 + 10 H2O + 20 NH3

Step #1 Open the program Pro II

Double Click on the Pro II icon. Go to file and new to set up a new Pro II file.

Step #2 Change Units

Click on the units of measure icon seen to the left to change the units. Change the units of temperature to C, the pressure to kPa, duty to 10^6 kJ/hr and the weight to kg.

Step # 3 Enter the chemical components

Click on the component selection icon shown to the left, and the following screen will open up. Click on User-defined to add the switch grass component seen below. Click on select from list to enter the rest of the components. When you click on select from list, a list will come up.

Select most common as can be seen below, than enter the first letter of the component in the in the search string box, and scroll down until you see the component. Select the component you want by highlighting it and click on the add component button. Continue this process until all of the components above are entered. In the case of swithgrass, change the Component Phases to solid. Then, click OK when completed.

Step # 4 Input the Properties for Switchgrass

Click on the Component Properties button shown to the left. Select Fixed and input 100 for the molecular weight of swithgrass. After changine the molecular weight, on the same screen that you found the Fixed button click on Temperature Dependent a new screen will come up click on the H button for switchgrass. Another screen will come up select Solid.

Enter the values below in the screen shown correlation number select 1 change the minimum and maximum temperature as shown. Also change the C1 value to 1. The values entered show that the reaction is dependent only on temperature.

After changing the enthalpy value, the density needs to be added click on . Another screen will come up select Solid.

Enter the values below in the screen shown correlation number select 1 change the minimum and maximum temperature as shown. Also change the C1 value to 1. The values entered show that the reaction is dependent only on temperature.

Step # 5 Selecting Thermodynamic Property Package and Reaction Setup

On the bottom of the simulation basis manger there are a select the Input tab. Next, click the Thermodynamic Data button, a list of SIMSCI-Thermodynamic Data should appear. After

selecting Most Commonly Used and Peng-Robinson, click the Add button. After setting all, click the OK.

Now, click the

tab which is located near the top of window.

First, write reaction set name and description and then click the Enter Data.

Type the name and click the Reactants=Products bottom Definition in red.

Make a formula using mole number of each component and then click the OK. Following above procedure, make reform and combustion reactions. The formulas needed are listed after the problem statement.

Step #6 Initial Input Steams

There are three initial inputs into the first conversion reactor: the Steam-In, the Biomass-In, and the Oxygenated-Air. To make these streams, click on the PFD Palette if not open to show the PFD Palette screen. The PFD Palette has the streams and all reactors and other necessary items that you can click on and input onto your screen. Click on the icon that says Streams, than click on a spot on the screen and drag it out until an arrow appears.

Double click on the first stream, and the following screen will come up.

For the first specification, input 260C for the temperature and the second 758 kPa for the pressure. Click on Flowrate and Composition. Select Total Fluid Flowrate add the total fluid flowrate shown for steam and input 1 as shown below for the H2O composition mole table.

Follow the same steps for the Oxygenated-Air and the Biomass-In streams, but adding different inputs for temperature, pressure, total fluid flowrate and compostion in moles. The inputs for these can be seen below. For the Biomass-In select Solids Only Stream instead of Compositon Defined. The Biomass-In inputs shown below.

The Oxygenated-Air-In inputs shown below.

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Step #7 Process Layout

Make the following process layout using the PFD palette. Connect each process component with the following streams. Do not worry about labeling of the streams or process components. The process components can be connected by the streams by first clicking on the steam icon on the PFD palette, than by dragging the other end of the stream to the next process component. The individual process components are listed in the following table with their corresponding name as listed in the PFD palette.

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Step #8 Selecting Conversion Reactor

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Select the conversion reactor in the PFD tool bar and place it on the screen. Click the Conversion Reactor and then select the Conversion in the Reaction Set Name. Click the Extent of Reaction, Pressure and Product Phases and then input the contents for each component. Select the Thermal Specification and type the fixed temperature. Select fixed duty on this window and type in -137. There are three parameters that need to be defined in this reactor: Extent of Reaction, Pressure and Product Phases. Select the Extent of Reaction and the following window on the left will come up. Fill in the variables listed below.

Click on the Pressure button on the main conversion reaction window enter the value shown below for outlet pressure.

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Click on the Product Phases button on the main conversion reaction window enter the values shown below. In the following window S7 is the stream that goes to the reformer and S5 liquid out 1 and dead ends.

Step #9 Reforming Reactor

Select an equilibrium reactor from the PFD palette to model the reforming reactor, which converts many of the components in the reactor to carbon monoxide and hydrogen. Once you place this reactor on the process screen, make a stream from the conversion reactor to the reforming reactor. Also make two other streams coming out of the reforming reactor. One stream is for the reformed product and the other is for the liquid product.

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After adding these steams, double click on the reforming reactor and the following screen will come up.

Name this reactor Reformer. In the box that says Reaction Set Name choose the Reform reaction that you made earlier. Select fixed duty on this window and type in 24.83 x 106 kJ/hr. There are three parameters that need to be defined in this reactor: Extent of Reaction, Unit Reaction Definitions, Pressure and Product Phases. Select the Extent of Reaction and the following window on the left will come up. Select the Extent of Reaction button that can be seen in the figure below on the left and the following window on the right will come up. In the figure shown on the right add the following reaction constants, choosing Ethane for the base component.

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Click ok on both of these screens and select the pressure button on the main screen Equilibrium reactor screen. Change the outlet pressure to 793 kPa. Click on the unit reactions definition button and the following screen will open.

Click on Equilibrium Data from the open screen and the following screen will come up. Enter the following equilibrium constants into this equation.

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Once these constants are entered, click on the Product Phases. Change one of the output streams to vapor and the other to liquids. The stream that contains vapors goes on to the mixer, and the other stream dead ends.

Step # 10 Selecting mixer

Select the mixer in the PFD tool bar and place it on the screen. Click the Mixture and then select the Outlet Pressure and type the pressure.

Input another stream into the mixer that contains only water see the following figure for inputs

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Step # 11 Selecting Simple HX

Select the Simple HX in the PFD tool bar and place it on the screen. Click the Simple HX and click the Process Stream in Hot Side and select the Hot in the Specify Information for. Type the pressure drop as listed below.

Click the Specification and select the Duty(Overall Exchanger) and type in value shown in the following screen.

Step # 12 Selecting Shift Reactor

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Select the equilibrium reactor in the PFD tool bar and place it on the screen. Click the Equilibrium Reactor and then select the Shift in the Reaction Set Name. Click the Extent of Reaction, Pressure and Product Phases and then input the contents in the each component. Select the Thermal Specification and type the fixed temperature. In the box that says Reaction Set Name choose the Reform reaction that you made earlier. Select fixed temperature on this window and type in 230. There are three parameters that need to be defined in this reactor: Extent of Reaction, Pressure and Product Phases. Select the Extent of Reaction and the following window on the left will come up. Select the Extent of Reaction button that can be seen in the figure below on the left and the following window on the right will come up. In the figure shown on the right add the following reaction constants, choosing Ethane for the base component.

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Click ok on both of these screens and select the pressure button on the main screen Equilibrium reactor screen. Change the outlet pressure to 552 kPa. Click on the Product Phases. Change one of the output streams to vapor and the other to liquids. The stream that contains vapors goes on to the mixer, and the other stream dead ends.

Step # 13 Selecting Simple HX

Select the Simple HX in the PFD tool bar and place it on the screen. Click the Simple HX and click the Process Stream in Hot Side and select the Hot in the Specify Information for. Leave the pressure drop.

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Click the Specification and select the Duty(Overall Exchanger) and type in value shown in the following screen.

Step # 14 Selecting Membrane Separator

Select the membrane separator in the PFD tool bar and place it on the screen. Click the Membrane Separator and then type the values of Permeate Side Pressure, Membrane Area and Component Permeation Constants. We used the vales using reference paper [1].
k (molH2/(msPa0.5))=1.9210-7exp[-13,810(J/mol)/8.314(J/molK)T(K)]

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Add the following components that cannot be seen. Component 2, H2 100000 Component 3, CO 40 Component 4, CO2 40 Component 5, H2O 40 Component 6, METHANE 40 Component 12, NH3 40 Component 13, H2S 40

Step # 15 Input values for Air in stream that inputs to the Combustion Reactor.
Double click on the Air in stream, and the following screen will come up.

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For the first specification, input 15C for the temperature and the second 145 kPa for the pressure. Click on Flowrate and Composition. Select Total Fluid Flowrate add the total fluid flowrate input the values shown in the following window.

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Step # 16 Select Combustion Reactor

Select the combustion reactor, which converts the left over methane to carbon dioxide and water. Double click on the reforming reactor and the following screen will come up.

In the box that says Reaction Set Name choose the combustion reaction that you made earlier. Select fixed temperature on this window and type in 121 C. There are three parameters that need to be defined in this reactor: Extent of Reaction, Pressure and Product Phases. Select the Extent of Reaction and the following window on the left will come up. Fill in the variables listed below.

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Click on the Pressure button on the main conversion reaction window enter the value shown below for outlet pressure.

Click on the Product Phases button on the main conversion reaction window enter the values shown below. In the following figure S24 represents the combusted products and the S25 represents the liquid out stream from the combustion reactor.

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Step # 17 Running the Simulation

Once you are finished with the above steps click on the Run key to run the simulation. If all of the process components turn blue then the simulation has no error. If something turns red than an addition input is needed.

Step # 18 Results to Turn in

Make a table to insert on the process screen click on stream properties in the PFD palette and place a table on the process screen. Double click on the table. The following window will open. Select Stream Summary and click Add All. Click Ok.

Copy this table and past it into an Excel file. Print out this file and turn it in for credit.

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