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

S TUDENT SHOULD BE ABLE TO ;  DEMONSTRATE the methods of initialising of operation of unit procedures  SIMULATE the flowsheet of bioprocess production plant

S ESSION OUTLINE  Unit procedures initialisation  Simulation execution & result checking

I NITIALISING A U NIT P ROCEDURE  What a Unit Procedure?  Initialising an Operation

W HAT IS A U NIT P ROCEDURE ?  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

H IERARCHY IN BATCH MODELING Operation(s) level Procedure(s) level Entire plant The same for continuous process modeling

F UNCTION 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

S TREAM SPECIFICATION Click to insert Heptane here Heptane flow = 800 kg/batch Ingredient flow T, P = default

S ET SPEC FOR S TREAM A & B Stream IDComponent Amount (kg/batch) Temperature Pressure Heptane A B Heptane A B Default

W ORKING SESSION Do not forget to save your work !!!

A QUESTION TO PONDER … Q: Why do we only specify the inlet stream?

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

A DDING 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)

A DDING OPERATIONS TO P-1 Add new operation before the currently selected operation Add new operation at the end of the list

I NITIALISING OPERATIONS IN P-1

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

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

I NITIALISING CHARGE OPERATION OperationOperating conditionEmission CHARGE-1  Charge 800kg/batch of heptane using stream “Heptane”  Setup time= 5 min  Process time : 100L/min Perform heptane emission on this stream CHARGE-2  Charge 50 kg/batch of A (limiting component) using Stream “A”  Setup time = 5min  Process time: calculated based on 20 kg/min Nil CHARGE-3  Charge 40/kg batch of B using Stream “B” (B is in excess)  Setup time = 5 min  Process time : calculated based on 20 kg/min Please complete the initialisation of CHARGE-2 & CHARGE-3

I NITIALISING REACT-1 & TRANSFER- OUT-1 OperationOperating conditionVolumesReaction REACT-1  Final temp = 50 °C  Heat transfer agent: steam  Process time = 6 hour  Leave other values as defaults Max Allowable working/ vessel volume: 80 % Extent of reaction = 95 % Reaction stoichiometry A + B C TRANSFER- OUT-1 Using stream “Rxt out” Duration: same as Cloth Filtration in P-2 (using Master-Slave Relationship) Nil

I NITILISING REACT-1 IN P-1 Steam Process time = 6 h Final temp = 50 °C Max allowable volume = 80 %

I NITIALISING REACT-1 IN P-1 Reaction extent = 95 % Edit reaction stoichiometry Rename reaction Add reaction(s) Delete stoichiometry (when needed) Molar stoichiometry OK, next operation (Transfer-out)

I NITIALISING T RANSFER O UT I NITIALISING T RANSFER O UT Transfer out stream Click here to select Master-and-Slave to calculate duration To quit Vessel Procedure Select the Master Procedure Select the Master Operation in Master Procedure

M ASTER -S LAVE R ELATIONSHIP 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

W ORKING SESSION Let’s try before we proceed further…

I NITIALISING 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)

A DDING OPERATIONS TO P-2

I NITIALISING OPERATIONS FOR P-2

I NITIALISING FILTER-1 OperationOperating conditionScheduling FILTER-1  Particulate component removal: 95% C (assuming that A & B are completely soluble in Heptane & C is virtually insoluble).  LOD (loss on drying) = 35% (this value cause a portion of heptane & any soluble component to be held in the wet cake 65% is insoluble C).  Filtrate stream: “B + Heptane”  By default, first operation of any batch unit procedure is scheduled to start at the beginning of the batch  Start time: relative to the START of TRANSFER-OUT-1 operation in P-1 procedure

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

I NITIALISING CAKE-WASH-1 & TRANSFER-OUT-1 OperationOperation condition CAKE- WASH-1  Wash In stream: “Wash in”  Wash Out stream: “Wash out”  Wash solvent: heptane (click on “Composition”, select “Auto- adjust”, the program will estimate a value automatically)  Wash time: 30 minutes  Wash type: slurry (Note: A “slurry” wash will essentially dilute the soluble components trapped in the cake and remove most of them in the wash stream, whereas a “displacement” wash will remove the soluble components form the cake in a plug-flow fashion.) TRANSFER- OUT-1  Transfer out using stream “C”  Duration: calculated based on 10kg/min

W ORKING SESSION Remember to save your file !

S IMULATING A FLOWSHEET  Execute the simulation  Viewing the results

Simulating a process: 1.Menu bar: Task/ Solve M&E balances 2.Press “ Ctrl 3 ” 3.Solve icon in menu bar 4.Press “ F9 ”

R ESULT VIEWING 1. Calculated output variables for each oeration can be viewed by revisiting the corresponding Operation Data dialog windows 2. To see the calculated equipment sizes, right click on the unit procedure icon & choose the Equipment Data… option 3. 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 4. The calculated flowrates and compositions of intermediate & output streams can be viewed by in the Simulation Data dialog windows of each stream

R ESULT 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…

E QUIPMENT OPERATION DATA Calculated heptane emission: 0.028%

E QUIPMENT DATA Calculated vessel volume: 1628 L

E QUIPMENT CONTENT

S TREAM SIMULATION DATA

G ENERATING A STREAM REPORT

C HECK YOUR SCHEDULING RESULTS ReactionABC MW Initial content, m iO (kg) Initial mol, n iO (kg-mol) X= 95% (based on A) Current mol, n (kg-mol) Current content, m (kg) n AO -n AO Xn BO -n BO X - n AO X +

C HECK 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

D O NOT JUST TAKE THE COMPUTER ’ S WORD AS IT IS, PLEASE CHECK YOUR RESULTS ACCORDINGLY !!! R EMEMBER THE GIGO PRINCIPLE