Introduction of CHEMCAD Software which is being used for designing bioreactor

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

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Process Flow Diagram