Getting started with ProSimPlus

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1 Getting started with ProSimPlus Part 1: Main features overview

2 Introduction 2 This document presents a general overview of ProSimPlus, ProSim s general steady state simulation software. Although this document is not a step by step guide to build an actual process, it describes in details the different functions that are used to build a complete process. The document is based on the Cyclohexane production unit process, which includes a reaction section and a distillation section and make use of all the typical functions of a simulation software (thermodynamic profile and reaction set definition, utilization of Specification and measurement modules ). A more detailed description of the Cyclohexane production unit process is provided in the ProSimPlus application example Cyclohexane Plant, available on our web site:

3 Before we start: interface key functions 3 Project management menu Project building menu Categories list Unit operations, within the selected categories Drawing area

4 Before we start: interface key functions 4 File management (new, open, save, close, edit synopsis, print) Cut, copy, paste a unit operation Delete a unit operation Access a unit operation configuration window Copy the flowsheet as an image Refresh the flowsheet Streams creation Thermodynamic profile(s) (components, models ) Unit system and unit conversion tool Set(s) of reactions Simulation report parameters Last simulation results and last Excel workbook Run the simulation (with options) Insert shapes, images or text

5 Before we start: interface key functions 5 Graphical object management Arrange unit operations on the flowsheet (align, center ) Unit operations or graphical objects position (mirror, inverse, rotate, order ) Colors, borders, text content menus can be access any time by right-clicking on the object. Flowsheet views and subflowsheet management Browse through multiple views Duplicate views Arrange tabs Rename tabs Tabs (name of the views) Subflowsheets are easily created: Select the flowsheet elements, right-click on one of them and choose move to / a new subflowsheet in the contextual menu.

6 Before we start: interface key functions 6 Unit operations library or tree view Beside the Library View, which presents the unit operations available in ProSimPlus within categories, the Tree View lists the items (streams and unit operations) used in the flowsheet. Selecting one (or several with the Ctrl button) item in the list selects the corresponding item in the flowsheet. Double clicking on the item in the list opens its configuration window. Library View Tree View

7 Building the flowsheet 7 The steps are the following: Step 1: Select your components Step 2: Select your thermodynamic model Step 3: Describe your chemical reactions Step 4: Create your flow sheet Step 5: Run the simulation Step 6: Reports generated Step 7: Analyze the results from the flowsheet Step 8: Share the simulation

8 Step 1: Select your components 8 The Calculator is a set of thermodynamic data that you will use in your process. It includes in particular pure components and thermodynamic models. Click on the thermodynamic icon to open the calculator editor. Then double click on Add a new calculator. You can use several calculators in the same flowsheet.

9 Step 1: Select your components 9 Double click on the New calculator to open the calculator environment window. To search for a component in one of the databases, click on Select compounds To create a component with the properties that you have, click on Add a new compound To create pseudo compounds, without lights ends, click on Create pseudocompounds

10 Step 1: Select your components 10 The databases registered on your computer are listed here. The search will be conducted on the selected (checked) databases only. Enter the name of the compound you are looking for or select another criteria. Once entered, press "Search Search results are displayed in central window. Double click on the compound you require to select it. The selection will be displayed on the right window. Repeat the operation to select all the component that you need. For this process you will need Hydrogen, Methane, Benzene and Cyclohexane

11 Step 2: Select your thermodynamic model 11 Once all component are selected, close the component search window to come back to the Calculator edition environment. Click on the Model tab to enter the thermodynamic selection environment. Select the thermodynamic model that you need with the pull down menu. Here we use SRK. When needed, you can adjust the thermodynamic profile. You need to enter some binaries coefficient, press the Binaries tab. This tab appears only when the thermodynamic model selected requires binaries interaction parameters.

12 Step 2: Select your thermodynamic model 12 You can either load the coefficient provided (Automatically researched) or enter your own coefficient in the table. Your thermodynamic profile is completed. Click OK to validate and close the window.

13 Step 3: Describe your chemical reactions 13 Press the Reaction button to enter the Chemical reaction edition window. 1- Click on Add to create a new reaction 2- Select the option for the heat of reaction calculation 3- Double click on the reaction created to access the details

14 Step 3: Describe your chemical reactions Select the reaction type 2- Select the kinetic model 3- Click on "Ok to validate or switch tabs to add parameters to define your reaction more precisely

15 Step 3: Describe your chemical reactions 15 Enter the stoichiometric coefficients for each component Minus sign is for reactants No sign is for products

16 Step 3: Describe your chemical reactions 16 Default partial orders are automatically displayed after the input of the stoichiometry. For a reactant, the partial order is equal to the absolute value of the stoichiometric coefficient. For a product, the partial order is zero.

17 Step 4: Create the flowsheet 17 A. Unit operations B. Feed (inlet) and product (outlet) C. Connect all the unit operations with streams D. Configure unit operation and in each feed E. Install the control and specification modules F. Analyze the process results

18 Step 4: Create the flowsheet A- Unit operations Click to select a unit operation 2- Move the mouse onto the drawing sheet and reach the desired position 3- Click again, to release the unit. Double click on the unit operation to open the configuration window. Operating parameters of the unit operation can be set at any time. When parameters are missing, the unit operation will be filled with red. A comprehensive set of features allows you resize, rotate, reposition, align, etc. the element on the drawing area.

19 Step 4: Create the flowsheet A- Unit operations 19 To configure a unit operation, double click on the selected unit operation or select Details in the contextual menu. Fill the different information in the selected fields. Click on Ok to confirm and close the window

20 Step 4: Create the flowsheet B- Inlets and outlets 20 At least one feed (inlet) and one product (outlet) streams are necessary to launch a simulation. However, they can be set any time. You can use shapes, images or text to enhance the readability of the flowsheet. 1- Select the unit operation icons 2- Drag and drop the icons at the selected place

21 Step 4: Create the flowsheet C- Connect unit operations Select the Material Stream icon 2- Select the first unit operation (source) by clicking on it 3- Select the connected unit operation (target) by clicking on it as well 4- The material stream is created automatically Material streams can be colored in order to ease the reading of the flowsheet. Simply right click on the stream to access the option.

22 Step 4: Create the flowsheet C- Connect unit operations 22 When several options for connection are available, the following window appears 1- Select the column inlet, here the feed 01 is at the top of the column. 2- Select the process outlet. 3- Confirm by clicking on Ok A unit operation in red means that at least a required stream is missing.

23 Step 4: Create the flow sheet C- Connect unit operations 23 In some cases (not in this example), streams need to be initialized. 1- Double click on the chosen stream to open its configuration window 2- Click on the Parameters and check the Initialized stream box to access the initialization options 3- You can specify flowrates when needed. Click on the Flowrate specification button.

24 Step 4: Create the flow sheet D- Control and specification modules 24 The MEASUREMENT block unit makes it possible to extract from a stream the value of a variable (temperature, pressure, total flowrate, and partial flowrate or mole fraction) and to compare this value with a set point. The SPECIFICATION block unit (or SPEC module) is used to solve simultaneously in a MCN (Maximum Cyclic Network) the recycles and/or constraint problems These Control modules are used just like other unit operation. However, they will use information streams. These streams (appear in blue dotted line) convey information from a unit operation to another.

25 Step 4: Create the flow sheet D- Control and specification modules 25 In this example the SPEC module and Measurement module will be used to set the C06 flow equal to a specified value by acting on the ratio of the three way valve. Measurement module configuration SPEC module configuration

26 Step 5: Run the simulation 26 A. Checking the flow sheet B. Defining the report parameters C. Running the simulation

27 Step 5: Run the simulation A- Checking the flowsheet 27 At the flowsheet level, you can easily verify the consistency of your connections. Unit operations that are missing at least one connection are identified with a red square. Placing your mouse on the unit operation will make appear a warning message. If the simulation is launched and an error is detected, a warning message will appear, with the name of the incorrect unit operation. A red cross will appear on the unit operation that has not converged

28 Step 5: Run the simulation A- Checking the flowsheet 28 At the unit operation level, missing information or inconsistent parameters are signaled with red fields. Additionally when required data is missing the configuration window can not be closed.

29 Step 5: Run the simulation B- Defining the report parameters 29 This step will enable you to define the content of the report that is automatically generated after the simulation. 1- Click on Report parameters 2- Select the desired options for the different types of item.

30 Step 5: Run the simulation C- Running the simulation 30 Click on the green arrow to start the simulation. When the simulation starts, the Simulation progress window opens. You can run the simulation step by step in order to follow the calculation more closely.

31 Step 5: Run the simulation C- Running the simulation 31 During the calculation, different symbols and indications will appear and disappear in the Simulation Progress window and in the drawing area. A green validation mark indicates that the module has been correctly calculated A blue arrow indicates that calculation is in progress A blue question mark indicates that the module has not been calculated yet A red cross indicates a convergence error

32 Step 5: Run the simulation C- Running the simulation 32 When all the modules have been properly calculated, all the marks are in green. Your simulation is successful. Check that all the criteria for convergence have been reached. Closing the Simulation Progress window will automatically open the simulation report.

33 Step 6: Reports generated 33 The HTML report is automatically displayed after each run It provides information about: Pure component properties and thermodynamic models List of equipment calculation Process streams characteristics Results for each process equipment Convergence and constraints Hyperlinks give you direct access to detailed information on initial configuration, unit operations, calculation sequence and results. All the reports are created in the folder where you saved your project.

34 Step 6: Reports generated 34 This HTML report allows you to browse conveniently through the most relevant data of the calculation. The calculation report shows which unit operations have converged or have failed. Detailed calculation results are provided for each streams and unit operations. A summary of the thermodynamic profile(s) used in the process is also provided.

35 Step 6: Reports generated 35 The History file is automatically generated as a file with.his extension. It can be opened in Notepad or any text file reader. It summarizes all the calculations executed during the simulation, whether they led to convergence or not. This can prove useful for complex convergence problems.

36 Step 6: Reports generated 36 A Excel file is automatically generated. It displays the main information about streams and unit operations.

37 Step 7: Analyze simulation results from the flowsheet 37 A table with selected results is automatically generated and located below the flowsheet Right click on the grid to select the information presented in this table. You can copy the grid to paste it in other documents or directly export it to a Excel file.

38 Step 7: Analyze simulation results from the flowsheet 38 In the drawing area, positioning the mouse on a stream displays its characteristics Right click on a stream to access the contextual menu. With Scriplets, you can analyze results through different types of charts. These charts can be copied and pasted in other documents

39 Step 7: Analyze simulation results from the flowsheet 39 A double click on an equipment gives you access to the report in the Results tab of its configuration window. Profiles of columns can also be analyzed with charts and values. In the Profiles tab.

40 Step 8: Sharing the simulation 40 When you need to send the simulation to someone else, simply right click anywhere on the flowsheet, and select the Scriptlet Send by . This action will automatically create a zip file that will include The.pmp3 file (ProSimPlus file) The Excel file The History file

41 41 ProSim SA 51, rue Ampère Immeuble Stratège A F Labège Cedex France Phone: +33 (0) info@prosim.net ProSim, Inc. 325 Chestnut Street, Suite 800 Philadelphia, PA U.S.A. Phone:

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