Getting started with BatchColumn

Transcription

1 Getting started with BatchColumn Example: Simulation of solvents mixture separation

2 Introduction 2 This document presents the different steps to follow in order to simulate a batch distillation using BatchColumn software. This presentation is based on an example: Solvents mixture separation methanol / acetone / dichloromethane / diacetone alcohol. This example is available in the BatchColumn example directory (column1.pbpc input file) The summary of this Getting Started is: Part 1 Description of the example Part 2 General points on the software interface Part 3 Description of the different steps to simulate the example

3 Part 1 3 Description of the example: Objective of the distillation Compounds and thermodynamic model Description of the equipment Operating mode

4 Objective of the distillation 4 The reactor charge is a solvent mixture including methanol (19.45 % wt), acetone (21.96 % wt), dichloromethane (56.29 % wt) and diacetone alcohol (2.3 % wt). The initial load is 6090 kg. The objective is to simulate an operating mode to recover: - Dichloromethane at 95 % wt purity - Acetone at 90 % wt purity - Methanol at 98 % wt purity

5 Compounds and thermodynamic model 5 The compounds involved in this distillation are: -Methanol -Acetone -Dichloromethane -Diacetone alcohol The thermodynamic model selected is NRTL. The binary interaction parameters, expressed in cal/mol, are given in the following table: Methanol-Acetone -12,37 290,51 0,3085 Methanol-Dichloromethane Acetone-Dichloromethane Acetone-Diacetone alcohol 74,14-725, , ,35 641, ,17 0,4830 0,35 0,2908

6 Description of the equipment 6 Four tanks are connected to the condenser for distillation recovery: tank 1, tank 2, tank 3, tank 4. The column characteristics are: - 32 theoretical plates (including boiler and condenser) - Liquid holdups are 15 l for the condenser and 2,5 l per tray - The heat duty is assumed to be constant at kcal/hr - The condenser is an ideal total condenser.

7 Operating mode 7 The column head pressure is 100 mmhg. Pressure drop is 10 mmhg. Dichloromethane recovery Step 1: Filling-up the column. Initial load temperature is 0 C Step 2: Distillate to tank 1 with a reflux ratio = 2 Final event: 2000 kg of product in tank 1 Step 3: Distillate to tank 1 with a reflux ratio = 5 Final event: 2800 kg of product in tank 1 Step 4: Infinite reflux Final event: time duration = 30 minutes Step 5: Distillate to tank 1 with a reflux ratio = 5 Final event: dichloromethane weight fraction in tank 1 less than 0.96 Step 6: Infinite reflux Final event: time duration = 30 minutes Step 7: Distillate to tank 1 with a reflux ratio = 5 Final event: dichloromethane weight fraction in tank 1 less than 0.95

8 Operating mode 8 Intermediate cut Step 8: Distillate to tank 2 with a reflux ratio = 5 Final event: acetone weight fraction in distillate greater than 0.96 Acetone recovery Step 9: Distillate to tank 3 with a reflux ratio = 5 Final event: 800 kg of product in tank 3 Step 10: Infinite reflux Final event: time duration = 30 minutes Step 11: Distillate to tank 3 with a reflux ratio = 5 Final event: acetone weight fraction in tank 3 less than 0.90 Methanol recovery Step 12: Distillate to tank 4 with a reflux ratio = 2 Final event: residual load in the boiler less than 150 kg

9 Part 2 9 General points on the software interface: The main window Using the toolbar Choosing the unit system Creating a new simulation file

10 The main window 10 Menu bar Toolbar Topology panel Scenario view Flowsheet view

11 Using the toolbar 11 File management (new, open, save, save as, close) Synopsis Printing Sheet properties Copy, cut, paste, delete Copy flowsheet Compounds, thermodynamics, chemical reactions Viewing the compounds list Managing units Units conversion «Bulk» properties Numerical parameters Report parameters Starting the simulation Calculator Graphical objects (shapes, pictures, text) Connecting equipment, steps and events Viewing last simulation results

12 Choosing the unit system 12 For edition and for report 1- Select the predefined system iso and click on Apply system 2- For a given quantity you can change the default unit to another one by clicking on its name 3- Click on OK to validate

13 Creating a new simulation file Click on Create a new document icon 2- Save the file 3- Open the synopsis (optional) 4 Fill the form

14 Part 3 14 Description of the different steps to simulate the example 1: Selecting the compounds 2: Selecting the thermodynamic model 3: Describing the chemical reactions 4: Describing the distillation system 5: Describing the operating steps 6: Running the simulation 7: Reviewing the simulation results

15 1-Selecting the compounds Click on the thermodynamics and compounds icon 2- Double click on the calculator. A calculator allows you to define a list of compounds and a thermodynamic model 3- Click on select compounds

16 1-Selecting the compounds Search by name each compound 5- Double click on each name to add it in the list of selected compounds 6- Click on close when the 4 compounds have been selected

17 1-Selecting the compounds The compounds imported from the database are listed.

18 2-Selecting the thermodynamic model Click on the Model tab to open the thermodynamic models configuration window. 2- All the available thermodynamic models are listed here. Use the scroll bar to go through the complete list. Select NRTL as the model to be used in the example.

19 2-Selecting the thermodynamic model Click on Binaries to access to the binary interaction parameters for the NRTL model 3- The NRTL profile is automatically displayed Enter a name for the calculator (optional)

20 2-Selecting the thermodynamic model You can enter your binary interaction parameters Click on OK at the bottom to exit the thermodynamic calculator editor

21 3-Describing the chemical reactions 21 There is no chemical reaction involved in this example. But if some were to be considered, they can be described at this level. 1- Click on Edit the chemical reactions to enter the chemical reactions editor 2- Select Add a reaction

22 4-Describing the distillation system 22 The main flowsheet window allows to display of the distillation system (inlet and outlet storages, boiler, column and condensing system) and provide a direct access to the different windows allowing their description. 1- Enter the number of theoretical stages

23 4-Describing the distillation system Select the relevant options: - plate (by default already selected)

24 4-Describing the distillation system Liquid tanks 1- Double click on the first liquid tank to open the window and add the other tanks TL02, TL03, TL04

25 4-Describing the distillation system Column Enter the plate hold-up 1 Double click on the column icon

26 4-Describing the distillation system Column Enter hold-up for condenser and stages

27 4-Describing the distillation system Column Click on Pressure profile Enter the condenser pressure and the pressure drop

28 4-Describing the distillation system Column Click on Efficiencies Condenser and plate efficiencies are set to 1

29 4-Describing the distillation system Column Click on Initial load Enter the composition and mass of the initial load

30 4-Describing the distillation system Column Select the validation tab. This tab displays the warning and error messages. If the data are correctly entered, this tab should be empty and the distillation icon is not highlighted anymore.

31 4-Describing the distillation system Column The distillation icon is not highlighted anymore. The global validation system report other missing or inconsistent information. That is normal as your file is under construction

32 32 The description of the distillation operation is made in the scenario window by a succession of steps and events.

33 33 2- Click on the scenario window. A new step and a new event will be created 1- Click on Filling step.

34 34 2- Click on the first triangle (starting of the operation) and then click on the first step. A new connexion will be created. 1- Click on connexion.

35 35 1- Select the first step (double click on the icon). A new tab, allowing to describe the step is created 3- Double click on column icon 2- Change the default name by Step 1

36 36 1- Select constant heat duty (default) 2- Enter the initial temperature 3- Enter the boiler duty 4- Click on OK

37 37 Double click on the condenser to access to its detail view 1- Select Ideal total condenser (default)

38 38 1- Double click on the step 1 end event 2- Enter a name for the event (by default Filling event ) 3- Click on OK

39 39 Right click on the first step, enter the Duplicate to sub-menu and then select Distillation step. This copy avoids to specify again most of the parameters for this new step.

40 40 Connect appropriately the new step to the ending event of the first step

41 41 1- Double click on the second step 2- Enter the name: Step 2

42 42 1- Double click on the column icon 2- Select constant value and enter the reflux ratio 3- Select Constant heat duty (default) 4- Select constant duty and enter the boiler duty

43 43 5- Nothing to change for the condenser 6- Distillate is routed to the first tank, as indicated in the flowsheet

44 44 1- Double click on the event at the end of the second step 2- Enter a name for the event 3- Select total production inside a tank 4- Enter the desired production 5- Click on OK

45 45 Right click on the second step and select Duplicate This copy avoids to specify again most of the parameters for this new step.

46 46 Connect appropriately the new step to the ending event of the second step Change the size to connect easily the blocks

47 47 1- Double click on the third step 2- Enter the name: STEP 3 3- Double click on the column

48 48 4- Select constant value and enter the reflux ratio 5- Select Constant heat duty (default) 6- Select constant duty and enter the boiler duty

49 49 7- Nothing to change for the condenser 8- Distillate is routed to the first tank, as indicated in the flowsheet

50 50 1- Double click on the event at the end of the third step 2- Enter a name for the event 3- Select total production inside a tank 4- Enter the desired production 5- Click on OK

51 51 Right click on the third step and select the Duplicate to and then select Step at infinite reflux This copy avoids to specify again most of the parameters for this new step.

52 52 Connect appropriately the new step to the ending event of the third step

53 53 1- Double click on the fourth step 2- Enter the name: STEP 4 3- Double click on the column

54 54 4- Nothing to change in this window: as this step has been duplicated from the previous one, the boiler duty is already defined as for the step 3

55 55 1- Double click on the event at the end of the fourth step 2- Enter a name for the event 3- Select time spent since beginning of step 4- Enter the desired time for this step 5- Click on OK

56 56 Right click on the third step and select the Duplicate This copy avoids to specify again most of the parameters for this new step.

57 57 Connect appropriately the new step to the ending event of the fourth step

58 58 1- Double click on the fifth step 2- Enter the name: STEP 5 3- Double click on the column

59 59 4- Nothing to change in this window: as this step has been duplicated from step 3, which is identical to step 5. The boiler duty is already defined as well the reflux ratio.

60 60 1- Double click on the event at the end of the fifth step 2- Enter a name for the event 3- Select fraction inside a tank 4- Enter the desired mass fraction of dichloromethane. Select "<" to indicate that the value should be reached by descending value. 5- Click on OK

61 61 Right click on the fourth step and select the Duplicate This copy avoids to specify again most of the parameters for this new step.

62 62 Connect appropriately the new step to the ending event of the fifth step

63 63 1- Double click on the last step 2- Enter the name: STEP 6 3- Double click on the column

64 64 3- Nothing to change in this window: as this step has been duplicated from step 4, which is identical to step 6. The boiler duty is already defined.

65 65 1- Double click on the event at the end of the sixth step 2- Enter a name for the event 3- Select time spent since beginning of step 4- Enter the desired time of step 5- Click on OK

66 66 Right click on the fifth step and select the Duplicate This copy avoids to specify again most of the parameters for this new step.

67 67 Connect appropriately the new step to the ending event of the sixth step Maybe your icons needs to be aligned on the left side of the window to have to new step at the top right side.

68 68 1- Double click on the last step 2- Enter the name: STEP 7 3- Double click on the column

69 69 4- Nothing to change in this window: as this step has been duplicated from step 5, which is identical to step 7. The boiler duty and the reflux ratio are already defined.

70 70 1- Double click on the event at the end of the seventh step 2- Enter a name for the event 3- Select fraction inside a tank 4- Enter the desired mass fraction of dichloromethane. Select "<" to indicate that the value should be reached by descending value. 5- Click on OK

71 71 Right click on the seventh step and select the Duplicate This copy avoids to specify again most of the parameters for this new step.

72 72 Connect appropriately the new step to the ending event of the sixth step

73 73 1- Double click on the last step 2- Enter the name: STEP 8 3- Double click on the column

74 74 4- Nothing to change in this window: as this step has been duplicated from step 7, which is identical to step 8. The boiler duty and the reflux ratio are already defined.

75 75 5- Double click on the liquid tanks and select the tank #2 then click on OK 6- The tank #2 has been selected

76 76 1- Double click on the event at the end of the eighth step 2- Enter a name for the event 3- Select fraction inside the distillate 4- Enter the desired mass fraction of acetone. Select >" to indicate that the value should be reached by ascending value. 5- Click on OK

77 77 Right click on the eighth step and select the Duplicate This copy avoids to specify again most of the parameters for this new step.

78 78 Connect appropriately the new step to the ending event of the eighth step

79 79 1- Double click on the last step 2- Enter the name: STEP 9 3- Double click on the column

80 80 4- Nothing to change in this window: as this step has been duplicated from step 8, which is identical to step 9. The boiler duty and the reflux ratio are already defined.

81 81 5- Double click on the liquid tanks, select the tank #3 then click on OK 6- The tank #3 has been selected

82 82 1- Double click on the event at the end of the ninth step 2- Enter a name for the event 3- Select total production inside a tank 4- Enter the desired total production inside tank 3 5- Click on OK

83 83 Right click on the sixth step and select the Duplicate This copy avoids to specify again most of the parameters for this new step.

84 84 Connect appropriately the new step to the ending event of the ninth step

85 85 1- Double click on the last step 2- Enter the name: STEP Double click on the column

86 86 4- Nothing to change in this window: as this step has been duplicated from step 6, which is identical to step 10. The boiler duty is already defined.

87 87 1- Double click on the event at the end of the tenth step 2- Enter a name for the event 3- Select time spent since beginning of step 4- Enter the desired time of step 5- Click on OK

88 88 Right click on the ninth step and select the Duplicate This copy avoids to specify again most of the parameters for this new step.

89 89 Connect appropriately the new step to the ending event of the tenth step

90 90 1- Double click on the last step 2- Enter the name: STEP Double click on the column

91 91 4- Nothing to change in this window: as this step has been duplicated from step 9, which is identical to step 11. The boiler duty is already defined as well as the reflux ratio.

92 92 1- Double click on the event at the end of the eighth step 2- Enter a name for the event 3- Select fraction inside a tank 4- Enter the desired mass fraction of acetone. Select "<" to indicate that the value should be reached by descending value. 5- Click on OK

93 93 Right click on the eleventh step and select the Duplicate This copy avoids to specify again most of the parameters for this new step.

94 94 Connect appropriately the new step to the ending event of the eleventh step

95 95 1- Double click on the last step 2- Enter the name: STEP Double click on the column

96 96 4- Enter the reflux ratio equal to 2

97 97 5- Double click on the liquid tanks, select the tank #4 then click on OK 6- The tank #4 has been selected

98 98 2- Enter a name for the event 3- Select total load inside the boiler 1- Double click on the event at the end of the eighth step 4- Enter the desired mass load inside the boiler. Select "<" to indicate that the value should be reached by descending value. 5- Click on OK

99 99 Finally connect the last event to the end of simulation

100 6-Running the simulation 100 Click on Report parameters Select the desired options for the presentation of the report Save the file Click on Start the simulation

101 6-Running the simulation 101 You can hold the calculation during the simulation ( Pause ) to review the evolution of the different parameters

102 6-Running the simulation 102 Once the simulation is completed, click on Results to visualize the simulation results

103 7-Reviewing the simulation results 103 Various graphs are plotted versus time. Use the buttons to browse into the available graphs Allows to review the coordinates (X,Y) of the series which is the closest to the cursor as a function of the cursor location on the displayed graph.

104 7-Reviewing the simulation results 104 Access to the report and review of: -the column characteristics (condenser, first plate, last plate, reboiler) -the mass balance in the tanks at the end of each step.

105 105 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: