UNISIM/ASPEN Static Simulation EG-M91 MSc Design Project Process Modelling and Simulation • For your process route as a group: Build a Steady-state model with UNISIM or ASPEN to replicate your drawn PFD. Now create an appropriate P&ID for your PFD A snapshot of the feed/product overall mass and energy balance page should be produced in your report. Example: HFO-1234ze Production Synthesis Route Reactor 1 Process H + H 200°C 48 hrs Reactor 2 Vinyl Fluoride + Trifluoroiodomethane → CF 3CH2CFHI + isomers F H H F 18-Crown-6 + OH- +K 35°C 24 hrs +K + H₂O + F H H Trifluoroiadomethane ST-01 Vinyl Fluoride ST-02 P-01 5-01 5-02 200C 48hrs Reactor 1 5-03 PART 1 CF3CH2CFHI + KOH 5-04 CFSCHICH SP-01 Other HE-01 components → CH₂F (HFO-1234ze) S-06 5-07 Other 5-12 ST-03 M12 components 0.1mol 38-crown-Sin 5-05 C-01 Condenser Reboiler M13 out 5-08 P-03 ST-04 5-09 Storage Tank 40ml CFSCHICH in from storage HE-02 5-11 50% wt (0) KOH in 5-10 30-40C 24hrs Reactor 2 PART 2 5-13 HE-03 5-14 SP-02 5-16 SP-04 5-15 5-18 (E)-HFC-1234ze HFO-1234yf 5-17 (Z)-HFO-1234ze KOH + 18-crown-6 +Water+KI PART 1 PART 2 Trifluoroiadomethane ST-01 5-01 5-06 M12 5-07 Condenser Other components ST-03 ST-04 S-12 0.1mol, 18-crown-Sin 50% wt (OC), KOH in 5-16 SP-04 5-18 (E)-HFO-1234ze HFO-1234yf PULER-C 5-02 Vinyl Fluoride ST-02 200C 48hrs Reactor 1 5-03 HE-01 5-04 CFSCHICH Other components SP-01 5-05 M13 out C-01 Reboiler HE-02 5-10 30-40C 24hrs Reactor 2 5-13 HE-03 5-14 SP-02 5-17 KOH 18-crown-6 Water K (Z)-HFO-1234ze ST-01 V-01 X S-01 ST-02 V-02 P-01 5-02 P-02 R-01 200°C 48 hrs CV-01- S-03 Steam Utility Bursting Disc Pressure relief Cooling water utility S-05 CV-02 Steam Utility 5-27 S-07 HE-02 S-04 S-05 FD-01 HE-01 S-06 ST-03 CV-03 C-01 S-33 HNH CHV-01 P-03 S-08 S-09 P-05 P-06 S-16 S-15 S-10 TWV-02 Water To Drain CV-11 CHV-03 S-17 S-14 5-08 CO-01 5-30 P-Q3 Storage Tank 40mol, CFICHOCH in from storage S-28 CV-04 S-29 RD-01 S-31 5-09 S-35 CV-05 S-32 S-34 ST-04 TWV-01 CHV-02 CV-06 P-04 REB-01 S-25 HFO-1234yf ST-07 V-07 Steam Utility S-24 FD-03 18-Crown-6 R-02 S-19 KOH E-HFO-1234ze HFO-1234yf ST-06 ST-05 CV-07 S-13 CV-10 S-12 V-05 S-22 Xv-04 S-21 V-06 Z-HFO-1234ze S-26 ST-06 V-08 S-11 CV-08 ☑ S-20 S-18 HE-03 V-03 P-07 30-40 °C 24 hrs 75 mol% CF3CH=CFH S-23 FD-02 KOH 18-Crown-6 S-27 Water ST-09 CV-09 KI V-09 Steam Utility Energy and Mass Balance of the streams. Units CSTR110U CF3CH2CF CF3CHCFH TOP21 TOP22 KOHOUT OTHER HFO-E - MIXED Substream Phase Vapor Vapor Liquid Vapor Vapor Mixed Vapor Mixed Temperature Pressure Molar Vapor Fracti... C 205.393 186.2 40 80 0 79.0124 -5.04839e-07 9.20805 bar 1 1 1 1 1 0.9 0.9 0.9 1 1 0 1 1 0.0039873 1 0.958453 Molar Liquid Fracti... 0 0 1 0 0 0.996013 0 0.0415471 Molar Solid Fraction 0 0 0 0 0 0 0 0 Mass Vapor Fraction 1 1 0 1 1 0.0070442 1 0.979652 Mass Liquid Fraction 0 0 1 0 0 0.992956 0 0.0203477 Mass Solid Fraction 0 0 0 0 0 0 0 0 Molar Enthalpy kcal/mol -166.853 -191.577 -106.512 -139.936 -31.4573 -105.683 -31.4573 Mass Enthalpy kcal/kg -779.673 -793.255 -1674.48 -1252.91 -277.662 -1672.73 -277.662 Molar Entropy Mass Entropy Molar Density Mass Density Enthalpy Flow cal/mol-K -38.1967 -49.5949 -25.8549 -44.4106 -53.8781 -24.183 -53.6689 -186.971 -1683.9 -50.9514 cal/gm-K -0.178486 -0.205356 -0.406464 -0.39763 -0.475563 -0.382762 -0.473716 kmol/cum 0.0251334 0.0261836 26.4573 0.0340576 0.0440323 5.99141 0.0396291 -0.45888 0.0399958 kg/cum Gcal/hr 5.37865 6.32353 1682.93 3.80383 4.98857 378.538 4.48971 4.44091 -0.000430403 -0.000277707 -0.00273168 -3.17512e-05 -2.0662e-06 -0.00268644 -2.0662e-06 -3.01427e-05 Average MW 214.004 + Mole Flows kmol/oper... 22.6122 241.507 12.7071 63.6093 111.688 113.293 63.1801 113.293 111.034 224.818 1.989 0.575776 222.829 0.575776 1.41322 + Mole Fractions + Mass Flows kg/oper-y... 4839.1 3068.85 14300.5 222.148 65.2316 14078.4 65.2316 156.916 - Mass Fractions KOH 0 0 0.737308 5.45436e-18 0 0.748942 0 0 WATER 0 0 0.0152066 0.00412155 0 0.0153815 0 0.00583492 KI HFO-YF HFO-E HFO-Z 0 0 0.140122 8.76148e-21 0 0 0 0.0240656 0 0 0.0649772 0.284521 0.63084 0.959251 0.0214834 0.142333 0.0199558 0.0560483 0 0 0.959251 0.00402799 0.0214834 0.884156 0 0 0.00721701 18-CR-01 0 0 M13 0.825921 0.996296 0.000739327 0.00956965 VINYL-01 0.0248552 0.000352734 7.56959e-05 TRIFL-01 0.105755 0.00150083 0.000322074 0.0700673 8.59047e-09 0.00527886 0.00213923 0.00286732 0.00238616 0 0 0.00721236 0.00966706 M12 0.0434695 0.0018507 0.000397156 0.00016486 0 0.00622527 0.000750993 0.00963736 4.31345e-05 0.000281911 0.000400822 0.00238616 0.098203 0 1.21616e-08 0 0.00747334 0.00721236 3.02854e-05 0.00966706 4.05929e-05 0 0.000233394 Volume Flow I/day 2463.21 1328.7 23.2646 159.893 35.8007 101.825 39.7786 96.7397