Dynamics Seminar Section 7 Batch Reactors John Edwards, P&I Design Ltd August, 2014 www.chemstations.com 1

BATCH REACTORS SESSION OBJECTIVES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS SESSION OBJECTIVES Process Simulation Dynamic Modelling & Control Section 7 Session Objectives are to study Dynamic simulation mass balance constraints Batch reactor process design considerations Batch reactor UnitOp configuration Jacket temperature control module configurations Develop multiple reaction case

BATCH REACTORS HEAT & MASS BALANCES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS HEAT & MASS BALANCES Section 7 page 153

BATCH REACTORS VOLUME SCALE UP CHARACTERISTICS www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS VOLUME SCALE UP CHARACTERISTICS HTA/Unit Volume (1/m) Reactor Volume (litres)

BATCH REACTOR GLASS LINED CONSTRUCTION HEAT UP TIMES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTOR GLASS LINED CONSTRUCTION HEAT UP TIMES 1 TIME CONSTANT Temperature ºC 6.3 m3 16 m 12.5 m3 21 m 25.0 m3 33 m Time h

BATCH REACTORS JACKET FLUIDS PHYSICAL PROPERTIES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS JACKET FLUIDS PHYSICAL PROPERTIES Liquid Density Liquid Heat Capacity Liquid Viscosity Liquid Thermal Conductivity

BATCH REACTORS HEAT TRANSFER FLUID SELECTION www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS HEAT TRANSFER FLUID SELECTION Section 7 page 158

BATCH REACTORS HEAT TRANSFER OIL SELECTION www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS HEAT TRANSFER OIL SELECTION Section 7 page 158

BATCH REACTORS HEAT TRANSFER OIL ADVANTAGES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS HEAT TRANSFER OIL ADVANTAGES Section 7 page 157 MULTIPURPOSE PLANT WIDE TEMPERATURE RANGE SINGLE FLUID SYSTEM WITH NO PHASE CHANGE FLUID PROPERTIES STABLE OVER WIDE RANGE SINGLE FLUID SIMPLIFIES CONTROL SYSTEM THERMAL SHOCK EFFECTS CONTROLLABLE NO CORROSION CLEAN HEAT TRANSFER SURFACES JACKET SIDE EROSION MINIMISED REDUCED MAINTENANCE COSTS

BATCH REACTORS HEAT TRANSFER OIL DISADVANTAGES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS HEAT TRANSFER OIL DISADVANTAGES Section 7 page 157 LOWER THERMAL EFFICIENCY THAN WATER SYSTEM HIGHER CAPITAL EQUIPMENT COST HIGH COST OF INITIAL FLUID CHARGE SPECIAL COMMISSIONING PROCEDURES LONGER DOWNTIME ON EQUIPMENT FAILURE SPECIAL OPERATION & MAINTENANCE PROCEDURES FLAMMABILITY-TOXICITY-ODOUR-GMP ISSUES

BATCH REACTORS UNITOPS RETENTION TIMES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS UNITOPS RETENTION TIMES Kinetic Reactor Batch Reactor SCDS Tower Tower + Dynamic Vessels

BATCH REACTORS DIRECT HEAT COOL www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS DIRECT HEAT COOL Section 7 page 166-167 DIRECT HEAT - COOL DIRECT HEAT – COOL INDIRECT CHILL

BATCH REACTORS INDIRECT HEAT DIRECT COOL www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL Section 7 page 168

BATCH REACTORS INDIRECT HEAT DIRECT COOL www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL Section 7 page 167

BATCH REACTORS INDIRECT HEAT DIRECT COOL www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL D7.01 page 170

BATCH REACTOR CONTROL VALVE CALIBRATION www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTOR CONTROL VALVE CALIBRATION SINGLE CONTROL VALVE OPERATIONS ACTION CONTROL OUTPUT POSITION STATE LOGIC EQUATION COEFFICIENTS mA % Av Bv FAIL CLOSED 4 Closed 0 = 4Av+Bv 0.0625 -0.25 20 100 Open 1 1 = 20Av+Bv OPEN 1 = 4Av+Bv -0.0625 1.25 0 = 20Av+Bv Controller Output (mA) 4 20 V a l v e Open Closed Fail Open Signal to Close Av = -0.0625 Bv = 1.25 Cooling Valve Av = 0.0625 Bv = -0.25 Fail Closed Signal to Open 20 Controller Output (mA) 4 V a l v e Open Closed Heating Valve Av and Bv are CHEMCAD scaling constants

BATCH REACTORS CONTROL VALVE CALIBRATION www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS CONTROL VALVE CALIBRATION DUAL CONTROL VALVE OPERATIONS IN SPLIT RANGE ACTION CONTROL OUTPUT POSITION STATE LOGIC EQUATION COEFFICIENTS mA % Av Bv FAIL CLOSED 12 50 Closed 0 = 12Av+Bv 0.125 -1.5 20 100 Open 1 1 = 20Av+Bv FAIL OPEN 4 1 = 4Av+Bv -0.125 1.5 4 Controller Output (mA) 12 20 V a l v e Open Closed Av = 0.0625 Bv = -0.25 Av = -0.0625 Bv = 1.25 3 Way Valve 4 Controller Output (mA) 12 20 V a l v e Open Closed Av = 0.125 Bv = -1.5 Av = -0.125 Bv = 1.5 Split Range Valves Av and Bv are CHEMCAD scaling constants

BATCH REACTORS CONTROL VALVE CHARACTERISTIC www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS CONTROL VALVE CHARACTERISTIC LINEAR EQUAL PERCENTAGE QUICK OPENING BUTTERFLY VALVE CHARACTERISTIC ANY POSITIONER 10 20 30 40 50 60 70 80 90 100 FLOW % VALVE STROKE (%) VALVE COEFFICIENT (Cv) Equal % for flow control Linear for level and pressure control

BATCH REACTORS INDIRECT HEAT DIRECT COOL - VALVES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL - VALVES D7.01 page 170 Fail Closed C-4mA O-20mA Fail Closed C-12mA O-20mA Fail Open C-12mA O-4mA

BATCH REACTORS INDIRECT HEAT DIRECT COOL - REACTOR www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL - REACTOR D7.01 page 170 For boil up only No reaction spec Distillation is mixed phase No boil up without draw spec

BATCH REACTORS INDIRECT HEAT DIRECT COOL - REACTOR www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL - REACTOR D7.01 page 170 For user specified select nearest Pfaudler To change spec Must reset to Initial State

BATCH REACTORS INDIRECT HEAT DIRECT COOL - PLOTS www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL - PLOTS Set plot time units to reasonable value based on step size, in this case minutes For general plots de-select composition

BATCH REACTORS INDIRECT HEAT DIRECT COOL – RUN TIME www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL – RUN TIME D7.01 page 170 Switch to dynamic mode under convergence Set Run Time to 360 minutes with 1 minute step size Record desired streams 3, 8, 9 & 12 Record desired UnitOps 3 & 6 Select Run Time plot options Run from Initial State Plot results Set plot time units to reasonable value based on step size, in this case minutes

BATCH REACTORS INDIRECT HEAT DIRECT COOL - RESULTS www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL - RESULTS

BATCH REACTORS INDIRECT HEAT DIRECT COOL www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEAT DIRECT COOL D7.01 page 170

BATCH REACTORS INDIRECT HEATING INDIRECT COOLING www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEATING INDIRECT COOLING Section 7 page 169

BATCH REACTORS INDIRECT DIRECT COOLING CURVES www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT DIRECT COOLING CURVES Section 7 page 169

BATCH REACTORS INDIRECT HEATING INDIRECT COOLING www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEATING INDIRECT COOLING D7.02 page 171

BATCH REACTORS INDIRECT HEATING INDIRECT COOLING www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEATING INDIRECT COOLING D7.02 page 171

BATCH REACTORS INDIRECT HEATING INDIRECT COOLING www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEATING INDIRECT COOLING D7.02 page 171

BATCH REACTORS INDIRECT HEATING INDIRECT COOLING www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEATING INDIRECT COOLING D7.02 page 171

BATCH REACTORS INDIRECT HEATING INDIRECT COOLING www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS INDIRECT HEATING INDIRECT COOLING D7.02 page 171

BATCH REACTORS SHELL - PLATE HEAT EXCHANGER www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS SHELL - PLATE HEAT EXCHANGER D4.03 page 88

BATCH REACTORS SHELL - PLATE HEAT EXCHANGER www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS SHELL - PLATE HEAT EXCHANGER

BATCH REACTOR PARALLEL KINETIC REACTIONS www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTOR PARALLEL KINETIC REACTIONS Section 7 D7.05 page 177

BATCH REACTOR PARALLEL KINETIC REACTIONS www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTOR PARALLEL KINETIC REACTIONS

BATCH REACTOR PARALLEL KINETIC REACTIONS www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTOR PARALLEL KINETIC REACTIONS

BATCH REACTORS HEAT REMOVAL CONSIDERATIONS www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS HEAT REMOVAL CONSIDERATIONS REDUCING REACTOR SIZE INCREASES HEAT REMOVAL LIMIT REACTION HEAT RATE TO HEAT REMOVAL USE LATENT HEAT TO ENHANCE HEAT REMOVAL MAXIMISE dT SUBJECT TO THERMAL SHOCK ENSURE JACKET / COIL IN TURBULENT FLOW UTILITY PROPERTIES SUITABLE FOR OPERATION JACKET SERVICE MODULE DESIGN NOT LIMITING MIXING SYSTEM PARAMETERS TO MATCH PROCESS

BATCH REACTORS DYNAMICS BENEFITS www.chemcad.co.uk SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com BATCH REACTORS DYNAMICS BENEFITS EXTENSIVE DATABASE OF FLUID PROPERTIES FLUID PROPERTIES AT ACTUAL CONDITIONS DYNAMIC DESIGN PARAMETERS USED DESIGN VERIFICATION PERFORMANCE OPTIMISATION CONTROL SYSTEM TUNING COMMISSIONING & TROUBLESHOOTING TOOL SCADA ENABLED OPTIMIZATION & TRAINING TOOL