Introduction to SuperPro Designer for Batch Processing Modelling

Introduction to SuperPro Designer for Batch Processing Modelling

Session outline Getting started SuperPro Designer (SPD) interface Flowsheet drawing and editing Unit procedures initialisation Simulation execution & result checking

Getting started

Process Operation Mode Process operation mode : BATCH vs CONTINUOUS Default annual operating time

SuperPro Designer Interface Maximise the flowsheet

SuperPro Designer Interface Horizontal drawing size : 2 pages

Some common icons Cut / Copy / Paste Solve-Run the simulation Open an existing worksheet Select mode Connect mode-stream connection Start a new worksheet Toolbar for drawing

Main unit procedure in SPD Vessel Procedure Reactor Seed Reactor Fermentor Seed Fermentor Air-lift Fermentor Continuous Reaction (Stoichiometric, kinetic, equilibrium) CSTR PFR Fermentor Seed Fermentor Environmental (aerobic, anaerobic, UV radiation) Filtration Microfiltration Ultrafiltration RO Diafiltration Baghouse Air Filtration Plate & Frame Rotary vacuum Distillation Flash Batch Continuous Extraction Distillation Mixer-Settler Differential Centrifugal Absorption Homogenization High pressure Bead milling Nano milling Sedimentation Decanting Clarification Thickening Oil Separation Flotation

Unit Procedure in SPD

Biochemical case study Component registration View component properties

Biochemical Case Study

Case Study 1 A batch reactor is utilised to produce component C from reactant A and B: A + B C Component C is later separated from A and B by a batch plate &frame filter Solvent used : Heptane (soluble for A and B but insoluble for C) Task to be performed : Mass and energy balances Process Scheduling

Component registration Component Nitrogen, N 2 Oxygen, O 2 Water, H 2 O Heptane, C 7 H 16 A B C Database Default Default Default Designer New (user define) New (user define) New (used define)

Component registration Databanks in SuperPro Default component

Component registration Newly added Reference component

View component properties

Editing component properties Component MW Price Value ($/kg) A 150 Purchase 10 B 25 Purchase 15 C 175 Selling 200 Let s do changes before we proceed

Time to save your work

Reminder Always remember to save your work!

Flowsheet drawing and editing Locating the unit procedures Stream connection Editing the flowsheet

Unit Procedures

Looking for help (F1)

Unit Procedures

Adding a process stream Select mode Connect-mode Stream connection Single click (tip: Press ESC button to terminate the stream drawing)

Deleting a stream Make sure the cursor is in Select Mode (ESC button) Single left click on the stream/unit (turn into read) & press DELETE (on keyboard)

Completing the flowsheet Double click Single click Single click

Let s draw our flowsheet before we proceed further

Editing a stream elbow Make sure the cursor is in Select Mode (Esc button) Make sure the cursor is in Select Mode (ESC button) Stream elbow

Editing tag name of the stream

Changing the Stream ID Stream ID Change ID to S-101 Heptane S-102 A S-103 B S-104 Emission S-105 Rxt out S-106 Wash in S-107 C S-108 B+ Heptane S-109 Wash out Let s do changes before we proceed

Editing the style of a stream Change Stream thickness: 2pt Change stream colour: brown

Changing the stream title and style Stream Colour Thickness Heptane Brown 2 points A Brown 2 points B Brown 2 points Emission Green 1 points Rxt out Brown 2 points Wash in Blue 1 points C Brown 2 points B + Heptane Brown 2 ponts Wash out Blue 1 points Same style (Q: is there a faster way to do so?)

Pickup style from Heptane

Apply style to another stream Press Ctrl button to select multiple streams

Complete the style editing for the rest of the streams

Editing the style of the icon Apply the same pick-up & apply to change the style of the filter Icon colour : blue Description tag text; Font 10, bold, maroon

Adding a title to the case study This is too small Text mode Change your font here

Save file (s) Save your work

Initialising a Unit Procedure What a Unit Procedure? Initialising an Operation

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

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

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

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

Set spec for Stream A & B Stream ID Component Amount (kg/batch) Temperature Pressure Heptane Heptane 800 A B A B 50 40 Default

Working 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)

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)

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

Initialising operations in P-1

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

Emission calculation lick to perform mission calculation OK, next operation (CHARGE-2) OK, previous Operation (none) Go to selected operation Previous operation (same tab none) Next operation (same tab)

Initialising CHARGE operation Operation Operating condition Emission CHARGE-1 Charge 800kg/batch of heptane using stream Heptane CHARGE-2 CHARGE-3 Setup time= 5 min Process time : 100L/min Charge 50 kg/batch of A (limiting component) using Stream A Setup time = 5min Process time: calculated based on 20 kg/min 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 Perform heptane emission on this stream Nil

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

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

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

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

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

Working session Let s try before we proceed further

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)

Adding operations to P-2

Initialising operations for P-2

Initialising FILTER-1 Operation Operating condition Scheduling 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

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

Initialising CAKE-WASH-1 & TRANSFER-OUT-1 Operation CAKE- WASH-1 TRANSFER- OUT-1 Operation condition Wash In stream: Wash in Wash Out stream: Wash out Wash solvent: heptane (click on Composition, select Autoadjust, 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 using stream C Duration: calculated based on 10kg/min

Working session Remember to save your file!

Simulating 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

Result 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

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

Equipment operation data Calculated heptane emission: 0.028%

Equipment data Calculated vessel volume: 1628 L

Equipment content

Stream simulation data

Generating a stream report

Check your scheduling results Reaction A + B C MW Initial content, m io (kg) - Initial mol, n io (kg-mol) - X= 95% (based on A) Current mol, n (kg-mol) n AO -n AO X n BO -n BO X n AO X Current content, m (kg)

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

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