PTT303 /2 PROCESS MODELLING AND SIMULATION SEM 1 ( 2013/2014)

1. PTT303 /2 PROCESS MODELLING AND SIMULATION SEM 1 (2013/2014) Batch Processing Modelling (Unit Procedures Initialising)

2. Student should be able to; DEMONSTRATE the methods of initialising of operation of unit procedures SIMULATE the flowsheet of bioprocess production plant

3. Session outline • Unit procedures initialisation • Simulation execution & result checking

4. Initialising a Unit Procedure • What a Unit Procedure? • Initialising an Operation

5. What is a Unit Procedure? • In the batch modeling mode, a Unit Procedure may consists of various Operations: • Reactor procedure: feed charge, reaction, product withdraw, etc • Filtration procedure: filtration, cake wash, CIP, etc • In continuous modeling mode, a Unit Procedure= Unit Operation

6. Hierarchy in batch modeling Entire plant Procedure(s) level The same for continuous process modeling Operation(s) level

7. Function of each unit procedure • Vessel Procedure (P-1): • Acts as a batch reactor to carry out reaction: • A + B C • Heptane is used to dissolve components A & B, to aid separation in P-2 • Plate and Frame Filtration (P-2): • Component C is not dissolved in heptane, hence is filtered out by the filter cloth • Heptane is used to wash out the trapped heptane ( and also the dissolved A & B) from the filter cake

8. Stream specification Heptane flow = 800 kg/batch Ingredient flow T, P = default Click to insert Heptane here

9. Set spec for Stream A & B

10. Working session Do not forget to save your work !!!

11. A question to ponder… Q: Why do we only specify the inlet stream?

12. Individual equipment blocks may require iterative solution algorithms Overall process solution is sequential & not iterative Sequential modular approach (Turton et al., 1998)

13. Adding operations to P-1 • 3 Charge operation (to charge A, B and heptane respectively) • 1 React (Stoichiometric) operation (for reaction to be carried out) • 1 Transfer Out operation (to deliver product to next unit)

14. Adding operations to P-1 Add new operation before the currently selected operation Add new operation at the end of the list

15. Initialising operations in P-1

16. Initialising CHARGE-1 Emission calculation (next slide…) 800 kg heptane Vol. flowrate =100 L/min Setup time = 5 min

17. Emission calculation Click to perform emission calculation Go to selected operation OK, next operation (CHARGE-2) Previous operation (same tab –none) Next operation (same tab) OK, previous Operation (none)

18. Initialising CHARGE operation Please complete the initialisation of CHARGE-2 & CHARGE-3

19. Initialising REACT-1 & TRANSFER-OUT-1

20. Initilising REACT-1 in P-1 Final temp = 50 °C Max allowable volume = 80 % Steam Process time = 6 h

21. Initialising REACT-1 in P-1 Edit reaction stoichiometry Rename reaction Reaction extent = 95 % Add reaction(s) OK, next operation (Transfer-out) Molar stoichiometry Delete stoichiometry (when needed)

22. InitialisingTransfer Out Transfer out stream Click here to select Master-and-Slave to calculate duration Select the Master Procedure Select the Master Operation in Master Procedure To quit Vessel Procedure

23. Master-Slave Relationship Slave Master • Master operation – processing step that control the duration of another operation (slave) • When simulation is executed, duration calculation for the slave operation will be bypassed (note: M&E balances affected), until the master operation is met • Both master and slave operation may exist in the same procedure or in another procedure

24. Working session Let’s try before we proceed further…

25. Initialising operation for P-2 • Cloth Filtration operation (by default, to filter product C) • Cake Wash operation (to wash out left over trapped A & B in filter cake) • Transfer Out operation (to deliver product)

26. Adding operations to P-2

27. Initialising operations for P-2

28. Initialising FILTER-1

29. Initialising FILTER-1 Scheduling By default C = 95% removal Filtration will only start when product is transferred out from P1 LOD = 35% Filtrate

30. Initialising CAKE-WASH-1 & TRANSFER-OUT-1

31. Working session Remember to save your file !

32. Simulating a flowsheet • Execute the simulation • Viewing the results

33. Simulating a process: • Menu bar: Task/ Solve M&E balances • Press “Ctrl 3” • Solve icon in menu bar • Press “F9”

34. Result viewing • Calculated output variables for each oeration can be viewed by revisiting the corresponding Operation Data dialog windows • To see the calculated equipment sizes, right click on the unit procedure icon & choose the Equipment Data… option • The contents of a piece of equipment as a function of time can be viewed by right clicking on a unit procedure and selecting Equipment Contents or Operation Sequence • The calculated flowrates and compositions of intermediate & output streams can be viewed by in the Simulation Data dialog windows of each stream

35. Result viewing 5. A list of reports can be viewed in Reports: • Stream Reports (SR) • Economic Evaluation Report (EER) • Itemized Cost Report (ICR) • Cash Flow Report (CFR) • Throughput Analysis Report (THR) • Environmental Impact Assessment Report (EIR) • Emission Reports (EMS) • Input Data Report (EDR) • Equipment Report (EQR) Let’s visit the one by one…

36. Equipment operation data Calculated heptane emission: 0.028%

37. Equipment data Calculated vessel volume: 1628 L

38. Equipment content

39. Stream simulation data

40. Generating a stream report

41. Check your scheduling results +

42. Check your scheduling result • Heptane charge =____kg/batch (stream specification) • Volumetric flowrate=___L/min (in Operation Data/CHARGE-1) • Task: • Find out the density of the heptane stream from your simulation sheet • Verify the heptane charging duration calculated by SPD heptane

43. Do not just take the computer’s word as it is, please check your results accordingly!!!Remember the GIGO principle