Introduction of CHEMcAD Software
- 1. Design of Bioreactor for methanol production using ChemCAD Software Introduction of ChemCAD Software: - CHEMCAD is an integrated suite of intuitive chemical process simulation software that fits into the chemical engineering workflow and supercharges an engineer's efficiency. Perhaps most significantly, it continues to evolve to meet the ever-expanding needs of chemical engineers. Benefits of ChemCAD Software: - Highly customizable, flexible, and affordable All modules work within a single graphical user interface for seamless interaction Adapts to how you approach engineering challenges Appealing graphics and reports are easy to export to third-party software Easily integrates into chemical engineering computing environment Personalized technical support second to none. Features of ChemCAD Software: - User-customizable panes Workspace to create and work with process flow diagrams (PFDs) Message pane that displays diagnostics as you work with a simulation CHEMCAD Explorer pane that makes navigating simulations easy Palette pane for easy drag-and-drop access to unit operations and symbols Toolbar that provides easy access to common tasks. Streamline Day-to-day Engineering Tasks Harness the productivity advantage with CHEMCAD and complete daily tasks more quickly with process simulation software. EQUIPMENT SIZING for ChemCAD Software: - Heat exchangers Vessels Piping/valves - pressure drop/line sizing Also available for pumps, safety relief devices, and column trays and packing THERMOPHYSICAL PROPERTY CALCULATIONS for ChemCAD Software: - Bubble/dew points Component family analyses Data regression Pure components Binary interaction parameters. The CHEMCAD suite of products includes: CC-STEADY STATE: - Chemical process simulation software that includes libraries of chemical components, thermodynamic methods, and unit operations to allow steady-state simulation of continuous chemical processes from lab scale to full scale. This is full featured steady state process simulation package and widely used for simulating/ designing all continuous processes. More than 50 unit operation blocks (Pumps, Compressors, Exchangers, Distillation Columns, Expanders, Control Valves, Centrifuges, Cyclones, general reactors etc.), 40+ Thermodynamic
- 2. Options for Phase Equilibrium, 15+ Enthalpy models , 2270 pure chemical data base from DIPPR, 251 Crude Data Assay from different origin, Built in Economics Analysis Package, Built in Environmental Analysis package using EPA WAR algorithm, Optimization and Sensitivity analysis, Data Reconciliation and Excel Data Maps, rigorous equipment sizing routine for Distillation Columns, Packed Columns, Piping/piping network, Safety Valves/ Rupture disks using DIERS Technology, Control Valves, Pressure Vessel /Process Vessel, Orifice etc., Equipment Cost Estimation with user subroutine for customization are some of the capabilities available in CC Steady State. Ideal for: Users who want to design processes, or rate existing processes, in steady state. CC-DYNAMICS: - Process simulation software that takes steady-state simulations to the next level of fidelity to allow dynamic analysis of flowsheets. The possibilities are endless: operability check-out, PID loop tuning, operator training, even online process control and soft sensor functionality. This module helps in dynamic modeling of Distillation Columns, Batch Reactors and Kinetic Rate Regression using lab/pilot plant data. Dynamic Analysis of Flare system with complex piping of flare header network is also available in this module. Simulating Batch manufacturing process involving Batch Reactors, CSTR with detailed unsteady state heat transfer calculations ( Un-baffled Jacket, Internal Coils, Limped Half Coils, external cooling/heating with detailed geometry of agitators) is possible with CC Dynamics. Variety of lab/plant data can be input for generating chemical reaction kinetic parameters to fit experimental data into Arrhenius / Hinshelwood-Langmuir kinetic models. User Specified Chemical Kinetics is allowed for simulating special reactions (biochemical reaction, Fermentation reactions etc). Ideal for: Users who want to design or rate dynamic processes. CC-THERM: - Heat exchanger design and rating software available as an add-on or standalone program. CC-THERM makes use of multiple international standards for design and materials to make sizing a heat exchanger faster and more accurate. The program covers shell-and-tube, plate-and-frame, air-cooled, and double-pipe exchangers. Rigorous designs are based on CHEMCAD's foundation of physical property and phase equilibria data. Ideal for: Users who want to design or vet a design by a vendor of a heat exchanger (single unit at a time), and those who want to rate existing exchangers in new service or perform "what if" calculations. CC-SAFETY NET: - Piping and safety relief network simulation software that allows rigorous analysis of any piping network. CC-SAFETY NET combines the latest in two-phase relief device calculation, rigorous pressure drop calculation, rigorous physical property calculation, and rigorous phase equilibrium calculation to deliver fast, accurate answers. Ideal for: Users who need to design or rate piping networks or safety relief devices/systems. CC-FLASH: - Physical properties and phase equilibria calculation software that is a subset of the CHEMCAD suite (all of the CHEMCAD suite products include CC-FLASH capabilities). This program allows rigorous calculation of physical properties and phase equilibria (VLE, LLE, VLLE) for pure components and mixtures. Ideal for: Users who need physical property and phase equilibrium data, as well as users who need property prediction and regression. CC-BATCH: - Batch distillation simulation software that, when used as an add-on or standalone program, makes batch distillation simulation and design easy with intuitive, operation step-based input. CC-BATCH is extremely flexible, with many operating modes and the capability to model any number of operating steps and
- 3. conditions. CC-BATCH optimizes batch operation, minimizes intermediate "slop" cuts, and increases productivity. Ideal for: Users who want to design or rate a batch distillation column. CHEMCAD has a variety of applications, including: - → Research and Development → Project/Process Design → Design and Rating of Process Equipment → Project/Process Redesign and Optimization → Operations/Maintenance → Safety and Hazard Analysis → Environmental Study and Analysis → Project and Product Sales → Education CHEMCAD is commonly used in such industries as: - → Exploration and Production → Refinery → Commodity Chemicals → Fine and Specialty Chemicals → Pharmaceuticals → Custom and Toll Manufacturing → Engineering and Construction → Consulting → Process Equipment Manufacturing → Power Plants → Carbon Capture and Storage → Alternative Fuels (Bioethanol, Biodiesel) → Academic University Programs Some of the distinct features of CHEMCAD that have been acknowledged by its users worldwide, are its user-friendliness, open architecture, unlimited customization by users and one of the most economical process simulation and modeling software.
- 4. Problems Using ChemCad Software BATCH DISTILLATION Problem Statement-1: To separate a 100 lb mol of mixed propane, butane, pentane, and hexane intothree separate tanks, producing 99% pure butane. The following are detailed specifications for this problem: Thermodynamic Selections K-value: Peng-Robinson Enthalpy: Peng-Robinson Initial Charge Conditions Temperature: 47.5°F Pressure: 16.7 psia Vapor Fraction: 0 at bubble point Total amount of charge: 100 lb.mol Initial Charge Composition (mole fraction) Propane: 0.1 N-Butane0.3 N-Pentane: 0.1 N-Hexane: 0.5 Column Specifications No. of internal stags: 8No. of operations: 5 Internal stage Hold up: 0.01 ft3 Condenser Hold up: 0.1 ft3 Condenser Pressure: 14.7 psia Column pressure drop: 2 psia Operating Step-1 Operating Step-2 Purpose: -Propane RemovalReflux ratio:5 Distillate Molar Flow Rate:2 Stop when: Distillate mole fraction of N-Butaneis 0.2Material to be added at start: None Purpose: -Propane RemovalRefluxratio:20 Distillate Molar Flow Rate:2 Stop when: Distillate mole fraction of N-Butane is0.985 Material to be added at start: None Operating Step-3 Operating Step-4 Purpose: -Butane Production Reflux ratio:25 Distillate Molar Flow Rate:2 Stop when: Accumulator mole fraction of N- Butane is0.99 Material to be added at start: 20 lb.mole of mole fraction40% N Butane/60% N Hexane, at 81.64 0 F & 16.7 psia Purpose: -Pentane RemovalRefluxratio:15 Distillate Molar Flow Rate:2 Stop when: Distillate mole fraction of N-Hexane is0.2 Material to be added at start: None Operating Step-5 Purpose: -Pentane RemovalReflux ratio:25 Distillate Molar Flow Rate:2 Stop when: Bottom mole fraction of N- Hexane is0.9998 Material to be added at start: None
- 5. Simulation: batch distillation BATCH DISTILLATION 1 CALCULATION RESULTS Operation Step 1: FLOW SUMMARIES: Stream Name Pot Charge Accumulator Pot Residue Distillate Temp F 47.5000 -43.1272 76.3585 -35.4003 Pres psia 16.7000 14.7000 16.7000 14.7000 Enth MMBtu -7.5365 -0.42573 -7.0174 -0.0057422 Vapor mole frac. 0.00000 0.00017733 0.00000 0.00000 Total lbmol 100.0000 7.7001 92.1818 0.1000 Total lb 7215.0000 341.7546 6867.2842 4.7109 Total std L ft3 Flow rates in lbmol Propane 184.0887 10.0000 10.7448 7.5423 173.1686 2.3907 0.1435 0.0785 N-Butane 30.0000 0.1577 29.7928 0.0215 N-Pentane 10.0000 0.0000 9.9991 0.0000 N-Hexane 50.0000 0.0000 49.9992 0.0000 STREAM PROPERTIES Name - - Overall - - Molar flow lbmol Pot Charge 100.0000 Accumulator 7.7001 Pot Residue 92.1818 Distillate 0.1000 Mass flow lb 7215.0000 341.7546 6867.2847 4.7109 Temp F 47.5000 -43.1272 76.3585 -35.4003 Pres psia 16.7000 14.7000 16.7000 14.7000 Vapor mole fraction 0.0000 0.0001773 0.0000 0.0000 Enth MMBtu -7.5365 -0.42573 -7.0174 -0.0057422 Tc F 394.8112 208.5791 404.6673 231.6894 Pc psia 562.1184 618.2305 531.5158 626.9926 Std. sp gr. wtr = 1 0.628 0.509 0.635 0.526 Std. sp gr. air = 1 2.491 1.532 2.572 1.627 Degree API 93.8854 146.2265 91.2507 137.5012 Average mol wt 72.1500 44.3834 74.4972 47.1132 Actual dens lb/ft3 39.6790 35.1062 39.1301 37.0219 Actual vol ft3 181.8344 9.7349 175.4989 0.1272 Std liq ft3 184.0887 10.7448 173.1686 0.1435 Std vap 60F ft3 - - Vapor only - - Molar flow lbmol 37947.8633 2922.0073 0.0012 34981.0273 37.9446 Mass flow lb 0.0547 Average mol wt 44.1447 Actual dens lb/ft3 0.1502 Actual vol ft3 0.3643 Std liq ft3 0.0017 Std vap 60F ft3 0.4704 Cp Btu/lbmol-F 14.6326 Z factor 0.9667 Visc cP 0.006491 Th cond Btu/hr-ft-F 0.0067 - - Liquid only - - Molar flow lbmol 100.0000 7.6988 92.1818 0.1000 Mass flow lb 7215.0000 341.7000 6867.2842 4.7109 Average mol wt 72.1500 44.3834 74.4972 47.1132 Actual dens lb/ft3 39.6790 36.4652 39.1301 37.0219 Actual vol ft3 181.8344 9.3706 175.4989 0.1272 Std liq ft3 184.0887 10.7430 173.1686 0.1435 Std vap 60F ft3 37947.8633 2921.5371 34981.0273 37.9446 Cp Btu/lbmol-F 37.1791 22.6547 39.6908 24.0115 Z factor 0.0055 0.0038 0.0055 0.0039 Visc cP 0.2511 0.2035 0.2299 0.2129 Th cond Btu/hr-ft-F 0.0688 0.0745 0.0659 0.0740 Surf. tens. dyne/cm 16.8682 15.4797 15.6173 15.8617
- 6. Operation Step 2: FLOW SUMMARIES: Stream Name Accumulator Pot Residue Distillate Temp F -35.3198 89.7478 28.7908 Pres psia 14.7000 16.7000 14.7000 Enth MMBtu -0.72690 -6.6808 -0.0064706 Vapor mole frac. 0.020970 0.00000 0.00000 Total lbmol 12.7000 87.1970 0.1000 Total lb 598.0427 6610.9443 5.7914 Total std L ft3 Flow rates in lbmol Propane 18.2165 9.9899 165.7076 0.0091 0.1590 0.0015 N-Butane 2.7097 27.1903 0.0985 N-Pentane 0.0004 9.9986 0.0000 N-Hexane 0.0000 49.9990 0.0000 STREAM PROPERTIES Name - - Overall - - Molar flow lbmol Accumulator 12.7000 Pot Residue 87.1970 Distillate 0.1000 Mass flow lb 598.0427 6610.9443 5.7914 Temp F -35.3198 89.7478 28.7908 Pres psia 14.7000 16.7000 14.7000 Vapor mole fraction 0.02097 0.0000 0.0000 Enth MMBtu -0.72690 -6.6808 -0.0064706 Tc F 231.5010 410.2825 304.4653 Pc psia 626.9835 516.8127 553.5885 Std. sp gr. wtr = 10.526 0.639 0.583 Std. sp gr. air = 11.626 2.618 2.000 Degree API 137.5718 89.9185 111.0383 Average mol wt 47.0898 75.8162 57.9172 Actual dens lb/ft3 6.2528 38.9128 37.6118 Actual vol ft3 95.6445 169.8915 0.1540 Std liq ft3 18.2165 165.7076 0.1590 Std vap 60F ft3 - - Vapor only - - Molar flow lbmol 4819.3975 0.2663 33089.3828 37.9454 Mass flow lb 11.9124 Average mol wt 44.7284 Actual dens lb/ft3 0.1493 Actual vol ft3 79.8147 Std liq ft3 0.3730 Std vap 60F ft3 101.0652 Cp Btu/lbmol-F 15.0691 Z factor 0.9675 Visc cP 0.006582 Th cond Btu/hr-ft-F 0.0068 - - Liquid only - - Molar flow lbmol 12.4337 87.1970 0.1000 Mass flow lb 586.1304 6610.9443 5.7914 Average mol wt 47.1404 75.8162 57.9172 Actual dens lb/ft3 37.0271 38.9128 37.6118 Actual vol ft3 15.8298 169.8915 0.1540 Std liq ft3 17.8436 165.7076 0.1590 Std vap 60F ft3 4718.3320 33089.3828 37.9454 Cp Btu/lbmol-F 24.0265 40.9966 30.9720 Z factor 0.0039 0.0055 0.0041 Visc cP 0.2130 0.2229 0.2077 Th cond Btu/hr-ft-F 0.0740 0.0647 0.0679 Surf. tens. dyne/cm 15.8651 15.1066 14.9608
- 7. Operation Step 3: FLOW SUMMARIES: Stream Name Pot Add Accumulator Pot Residue Distillate Temp F 81.6400 29.4790 88.7612 29.8203 Pres psia 16.7000 14.7000 16.7000 14.7000 Enth MMBtu -1.5255 -0.025894 -8.1789 -0.0064747 Vapor mole frac. 0.00000 0.00000 0.00000 0.00000 Total lbmol 20.0000 0.4000 106.7971 0.1000 Total lb 1499.1080 23.1894 8086.8652 5.8002 Total std L ft3 Flow rates in lbmol Propane 37.7190 0.0000 0.6364 0.0042 202.7903 0.0053 0.1591 0.0009 N-Butane 8.0000 0.3957 34.7940 0.0991 N-Pentane 0.0000 0.0001 9.9987 0.0000 N-Hexane 12.0000 0.0000 61.9991 0.0000 STREAM PROPERTIES Name - - Overall - - Molar flow lbmol Pot Add 20.0000 Accumulator 0.4000 Pot Residue 106.7971 Distillate 0.1000 Mass flow lb 1499.1079 23.1894 8086.8647 5.8002 Temp F 81.6400 29.4790 88.7612 29.8203 Pres psia 16.7000 14.7000 16.7000 14.7000 Vapor mole fraction 0.0000 0.0000 0.0000 0.0000 Enth MMBtu -1.5255 -0.025894 -8.1789 -0.0064747 Tc F 407.0823 304.7964 409.9951 304.9596 Pc psia 529.3731 552.8794 518.6529 552.5335 Std. sp gr. wtr = 1 0.637 0.584 0.639 0.584 Std. sp gr. air = 1 2.588 2.002 2.614 2.003 Degree API 90.7608 110.9207 90.0144 110.8630 Average mol wt 74.9554 57.9762 75.7218 58.0052 Actual dens lb/ft3 39.0382 37.6017 38.9291 37.5966 Actual vol ft3 38.4011 0.6167 207.7333 0.1543 Std liq ft3 37.7190 0.6364 202.7903 0.1591 Std vap 60F ft3 - - Vapor only - - Molar flow lbmol Mass flow lb Average mol wt Actual dens lb/ft3 Actual vol ft3 Std liq ft3 Std vap 60F ft3 Cp Btu/lbmol-F Z factor Visc cP Th cond Btu/hr-ft-F 7589.5723 151.7847 40527.1992 37.9456 - - Liquid only - - Molar flow lbmol 20.0000 0.4000 106.7971 0.1000 Mass flow lb 1499.1080 23.1894 8086.8652 5.8002 Average mol wt 74.9554 57.9762 75.7218 58.0052 Actual dens lb/ft3 39.0382 37.6017 38.9291 37.5966 Actual vol ft3 38.4011 0.6167 207.7333 0.1543 Std liq ft3 37.7190 0.6364 202.7903 0.1591 Std vap 60F ft3 7589.5723 151.7847 40527.1992 37.9456 Cp Btu/lbmol-F 40.1915 31.0225 40.9056 31.0508 Z factor 0.0055 0.0041 0.0055 0.0041 Visc cP 0.2264 0.2073 0.2232 0.2071 Th cond Btu/hr-ft-F 0.0655 0.0678 0.0648 0.0678 Surf. tens. dyne/cm 15.3875 14.9346 15.1394 14.9215
- 8. Operation Step 4: FLOW SUMMARIES: Stream Name Accumulator Pot Residue Distillate Temp F 37.7811 159.4883 105.0508 Pres psia 14.7000 16.7000 14.7000 Enth MMBtu -2.8338 -5.1922 -0.0075531 Vapor mole frac. 0.016508 0.00000 0.00000 Total lbmol 42.5996 64.2216 0.1000 Total lb 2588.7175 5498.0352 7.5014 Total std L ft3 Flow rates in lbmol Propane 69.7935 0.0058 133.0092 0.0000 0.1883 0.0000 N-Butane 34.8943 0.0003 0.0000 N-Pentane 7.3587 2.5939 0.0795 N-Hexane 0.3407 61.6275 0.0204 STREAM PROPERTIES Name - - Overall - - Molar flow lbmol Accumulator 42.5996 Pot Residue 64.2216 Distillate 0.1000 Mass flow lb 2588.7175 5498.0352 7.5014 Temp F 37.7811 159.4883 105.0508 Pres psia 14.7000 16.7000 14.7000 Vapor mole fraction 0.01651 0.0000 0.0000 Enth MMBtu -2.8338 -5.1922 -0.0075531 Tc F 323.5441 451.1516 401.5415 Pc psia 553.1722 434.3797 484.6794 Std. sp gr. wtr = 10.594 0.662 0.638 Std. sp gr. air = 12.098 2.956 2.590 Degree API 106.6579 82.2024 90.2614 Average mol wt 60.7685 85.6103 75.0121 Actual dens lb/ft3 8.2592 38.1496 38.3018 Actual vol ft3 313.4343 144.1176 0.1958 Std liq ft3 69.7935 133.0092 0.1883 Std vap 60F ft3 - - Vapor only - - Molar flow lbmol 16165.6553 0.7032 24370.7363 37.9488 Mass flow lb 41.4694 Average mol wt 58.9706 Actual dens lb/ft3 0.1684 Actual vol ft3 246.2674 Std liq ft3 1.1305 Std vap 60F ft3 266.8574 Cp Btu/lbmol-F 22.7113 Z factor 0.9645 Visc cP 0.007011 Th cond Btu/hr-ft-F 0.0082 - - Liquid only - - Molar flow lbmol 41.8964 64.2216 0.1000 Mass flow lb 2547.2483 5498.0352 7.5014 Average mol wt 60.7987 85.6103 75.0121 Actual dens lb/ft3 37.9242 38.1496 38.3018 Actual vol ft3 67.1669 144.1176 0.1958 Std liq ft3 68.6629 133.0092 0.1883 Std vap 60F ft3 15898.7988 24370.7363 37.9488 Cp Btu/lbmol-F 32.4415 49.5969 41.5479 Z factor 0.0042 0.0057 0.0046 Visc cP 0.2107 0.2078 0.2131 Th cond Btu/hr-ft-F 0.0673 0.0596 0.0626 Surf. tens. dyne/cm 15.1159 12.9856 14.3181
- 9. Operation Step 5: FLOW SUMMARIES: Stream Name Accumulator Pot Residue Distillate Temp F 43.9547 163.0812 151.3951 Pres psia 14.7000 16.7000 14.7000 Enth MMBtu -3.3451 -4.6799 -0.0081178 Vapor mole frac. 0.046524 0.00000 0.00000 Total lbmol 49.0997 57.7287 0.1000 Total lb 3112.8225 4973.9209 8.5515 Total std L ft3 Flow rates in lbmol Propane 82.6817 0.0058 120.1248 0.0000 0.2069 0.0000 N-Butane 34.8947 0.0000 0.0000 N-Pentane 9.9281 0.0691 0.0047 N-Hexane 4.2711 57.6596 0.0953 STREAM PROPERTIES Name - - Overall - - Molar flow lbmol Accumulator 49.0997 Pot Residue 57.7287 Distillate 0.1000 Mass flow lb 3112.8225 4973.9209 8.5515 Temp F 43.9547 163.0812 151.3951 Pres psia 14.7000 16.7000 14.7000 Vapor mole fraction 0.04652 0.0000 0.0000 Enth MMBtu -3.3451 -4.6799 -0.0081178 Tc F 341.1892 453.4017 450.7624 Pc psia 557.8718 430.7044 435.0021 Std. sp gr. wtr = 10.603 0.663 0.662 Std. sp gr. air = 12.189 2.975 2.953 Degree API 103.1334 81.8384 82.2653 Average mol wt 63.3980 86.1602 85.5159 Actual dens lb/ft3 3.5047 38.1130 38.4179 Actual vol ft3 888.1942 130.5046 0.2226 Std liq ft3 82.6817 120.1248 0.2069 Std vap 60F ft3 - - Vapor only - - Molar flow lbmol 18632.2832 2.2843 21906.8262 37.9473 Mass flow lb 135.8163 Average mol wt 59.4562 Actual dens lb/ft3 0.1676 Actual vol ft3 810.4235 Std liq ft3 3.6914 Std vap 60F ft3 866.8456 Cp Btu/lbmol-F 23.0903 Z factor 0.9651 Visc cP 0.007079 Th cond Btu/hr-ft-F 0.0083 - - Liquid only - - Molar flow lbmol 46.8154 57.7287 0.1000 Mass flow lb 2977.0061 4973.9209 8.5515 Average mol wt 63.5903 86.1602 85.5159 Actual dens lb/ft3 38.2793 38.1130 38.4179 Actual vol ft3 77.7707 130.5046 0.2226 Std liq ft3 78.9902 120.1248 0.2069 Std vap 60F ft3 17765.4355 21906.8262 37.9473 Cp Btu/lbmol-F 33.7706 50.0860 48.9924 Z factor 0.0043 0.0057 0.0050 Visc cP 0.2164 0.2071 0.2134 Th cond Btu/hr-ft-F 0.0672 0.0593 0.0605 Surf. tens. dyne/cm 15.3744 12.8736 13.4341 CHEMCAD 7.1.2 PM 6/15/2018 10:27
- 10. 1 2 1 3 2 4 3 Process Flow Diagram