BioMASS v2.0 A NEW TOOL FOR BIOPROCESS SIMULATION

Clemson University
TigerPrints
All Theses Theses
5-2011
BioMASS v2.0: A NEW TOOL FOR

BIOPROCESS SIMULATION
Y Phan-thien
Clemson University, nhuy2711@gmail.com
Follow this and additional works at: https://tigerprints.clemson.edu/all_theses

Part of the Biochemistry Commons
Recommended Citation
Phan-thien, Y, "BioMASS v2.0: A NEW TOOL FOR BIOPROCESS SIMULATION" (2011). All Theses. 1096.
https://tigerprints.clemson.edu/all_theses/1096
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BioMASS v2.0: A NEW TOOL FOR BIOPROCESS SIMULATION
____________________________________
A Thesis
Presented to
the Graduate School of
Clemson University
____________________________________
In Partial Fulfillment
of the Requirements for the Degree of
Master of Science
Biosystems Engineering
____________________________________
by
Y N. Phan-Thien
May 2011
____________________________________
Accepted by:
Dr. Caye M. Drapcho, Committee Chair
Dr. John Nghiem
Dr. Terry Walker
ABSTRACT
A simulation software (BioMASS – Biological Modeling and Simulation
Software) was upgraded from the previous version and provided with additional
enhancements. Several new bioprocess configurations and their subroutines have been
added. The additional processes included continuous stirred tank reactor (CSTR) with
biomass recycle, and CSTR with additional stream in the second stage. The primary goal
in the development of BioMASS v2.0 was to provide users with a ready-to-use,
expressive visual modeling tools. In this new version, output from simulation can be
visualized in graphics. Printing, exporting, and saving file options also are available. In
summary, BioMASS v2.0 offers an effective way of better understanding bioprocessing.
ii
ACKNOWLEDGEMENTS
I wish to express my deepest gratitude to Dr. Caye Drapcho for suggesting the
topic of this thesis as well as her professional guidance and constructive criticism.
I am also greatly indebted to Dr. Nhuan Nghiem, whose valuable advices, and
enduring motivation and support were of inestimable value. Sincere thanks are also to
him for critical review of my thesis.
I also would like to thank Dr. Walker for giving useful lectures which helped me a
lot to complete this thesis.
I would like to take this opportunity to express my deep gratitude to my parents,
my brother, and my little sister for their love, patience and encouragement during the
long course of my study.
Finally, I would like to thank all my friends in the United States for just
everything they did to make my stay here an experience for a lifetime.
iii
TABLE OF CONTENTS
TITLE PAGE ....................................................................................................................... i
ABSTRACT........................................................................................................................ ii
ACKNOWLEDGEMENTS ............................................................................................... iii
TABLE OF CONTENTS ................................................................................................... iv
LIST OF FIGURES ........................................................................................................... vi
LIST OF TABLES ............................................................................................................. ix
Chapter 1 ..........................................................................................................................1
INTRODUCTION ....................................................................................................... 1
Chapter 2 ..........................................................................................................................5
BioMASS v2.0............................................................................................................. 5
Chapter 3 ........................................................................................................................29
BIOPROCESS MODELING AND SIMULATION USING BioMASS v2.0 .......... 29

Chapter 4 ........................................................................................................................62
CONCLUSION ......................................................................................................... 62
APPENDICES .................................................................................................................. 63
APPENDIX A ................................................................................................................... 64
COMMANDS IN BioMASS v2.0 ............................................................................. 64

APPENDIX B ................................................................................................................... 75
DETAILS OF “NOTEBOOK” COMMAND............................................................ 75

APPENDIX C ................................................................................................................... 83
VB CODE FOR ZERO-ORDER CHEMICAL REACTION.................................... 83

APPENDIX D ................................................................................................................. 106
VB CODE FOR FIRST-ORDER CHEMICAL REACTION ................................. 106
iv
APPENDIX E ................................................................................................................. 118
VB CODE FOR SECOND-ORDER CHEMICAL REACTION ............................ 118

APPENDIX F.................................................................................................................. 130
VB CODE FOR SINGLE LIMITING NUTRIENT................................................ 130

APPENDIX G ................................................................................................................. 151
VB CODE FOR MULTIPLE LIMITING NUTRIENTS ........................................ 151

APPENDIX H ................................................................................................................. 172
VB CODE FOR INHIBITION MODEL ................................................................. 172

REFERENCES ............................................................................................................... 195
v
LIST OF FIGURES
Figure 2.1. “Start Page” window. ....................................................................................... 7
Figure 2.2. Commands in “File” Menu. .............................................................................. 8
Figure 2.3. “Add another reactor” checkbox is selected. .................................................. 11
Figure 2.4. Simulation window of Irreversible Chemical Kinetics for zero-order reaction.
........................................................................................................................................... 12
Figure 2.5. “Temperature Effect” window. ...................................................................... 13
Figure 2.6. Simulation window of “Single Limiting Nutrient”. ....................................... 16
Figure 2.7. “Enter Data for Bioreactor 1” window. .......................................................... 17
Figure 2.8. Simulation results of Single Limiting Nutrient were displayed in Table. ...... 19
Figure 2.9. Simulation results of Single Limiting Nutrient were displayed in Graph. ..... 20
Figure 2.10. Save Data, Results and Graphs in Excel. ..................................................... 21
Figure 2.11. Simulation window of Multiple Limiting Nutrients. .................................... 22
Figure 2.12. “Enter data for Substrate” window of Multiple Limiting Nutrients. ............ 23
Figure 2.13. “Enter data for product” window of Multiple Limiting Nutrients. .............. 24
Figure 2.14. Simulation window of Inhibition Model. ..................................................... 25
Figure 2.15. “Enter data for Substrate” window of Inhibition Model. ............................. 26
Figure 2.16. “Enter data for product” window of Inhibition Model. ................................ 27
Figure 2.17. “Enter data for Xenobiotic Compound” of Inhibition Model. ..................... 28
Figure 3.1. Start Pageof BioMASS v2.0. .......................................................................... 34
Figure 3.2. “Enter data for Substrate” window. ................................................................ 35
Figure 3.3. List of supported product inhibition model in BioMASS v2.0. ..................... 36
Figure 3.4. “Notebook” window in BioMASS v2.0 ......................................................... 37
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Figure 3.5. Experimental (points) and simulated (lines) profiles of substrate, biomass and
H2 concentration in a batch system including impact of H2 inhibition. ............................ 41
Figure 3.6. Studentized residual plot for glucose concentration. ...................................... 42
Figure 3.7. Studentized residual plot for biomass concentration. ..................................... 42
Figure 3.8. Studentized residual plot for Hydrogen concentration. .................................. 43
Figure 3.9. Experimental (points) and simulated (lines) profiles of substrate, biomass and
H2 concentration in a batch system without including impact of H2 inhibition................ 44
Figure 3.10. Simulated profiles of H2 concentration with various initial glucose

concentration in a batch system including impact of H2 inhibition. ................................. 45
Figure 3.11. Simulated profiles of H2 concentration with different µ max values in a batch
system including impact of H2 inhibition. ........................................................................ 46
Figure 3.12. Simulated profiles of H2 concentration with different K S values in a batch

Figure 3.13. Simulated profiles of H2 concentration with different YX / S values in batch

Figure 3.14. Simulated results of hydrogen production in a CSTR system at HRT of 6h.
........................................................................................................................................... 49
Figure 3.15. Simulated profiles of glucose, biomass and H2 concentration at various

retention time in a CSTR system. ..................................................................................... 50
Figure 3.16. Simulated profiles of H2 concentration at various initial glucose

concentration in a CSTR system at HRT of 6 hours......................................................... 51
Figure 3.17. Experimental (points) and simulated (lines) profiles of glucose, xylose and
xylitol concentration in a batch system............................................................................. 53
Figure 3.18. Studentized residual plot for xylose concentration. ..................................... 53
Figure 3.19. Studentized residual plot for xylitol concentration. ..................................... 54
Figure 3.20. Simulated profiles of xylitol concentration with different µ max values in a
batch system. ..................................................................................................................... 55
vii
Figure 3.21. Simulated profiles of xylitol concentration with different K S1 values in a
batch system. ..................................................................................................................... 55
Figure 3.22. Simulated profiles of xylitol concentration with different K S2 values in a

batch system. ..................................................................................................................... 56
Figure 3.23. Simulated profiles of xylitol concentration with different YX / S1 values in a

batch system. ..................................................................................................................... 56
Figure 3.24. Simulated profiles of xylitol concentration with different YX / S2 values in a

batch system. ..................................................................................................................... 57
Figure 3.25. Simulated profiles of glucose, xylose, xylitol and ethanol concentration in a
batch system. ..................................................................................................................... 58
Figure A. 1. Commands in “View” Menu. ....................................................................... 65
Figure A. 2. Commands in “Tools” Menu. ....................................................................... 66
Figure A. 3. Commands in “Windows” Menu. ................................................................. 67
Figure A. 4. Commands in “Help” Menu. ........................................................................ 68
Figure A. 5. “Notebook” window. .................................................................................... 69
Figure A. 6. “About BioMASS v2.0” window. ................................................................ 70
Figure A. 7. Standard Toolbar and Calculation Toolbar. ................................................. 70
Figure A. 8. Scroll Bar and Status Bar.............................................................................. 73
viii
LIST OF TABLES
Table 3.1. Simulated results of hydrogen production at different retention time. ............ 48
Table 3.2. Simulated results of rate of H2 production with different initial substrate
concentration in a batch system. ....................................................................................... 51
Table 3.3. Simulated results of xylitol and ethanol concentration with different initial
glucose concentration in a batch system. .......................................................................... 59
Table 3.4. Simulated results of xylitol and ethanol concentration with different initial
xylose concentration in a batch system............................................................................. 59
Table A. 1. List of command icons in Standard Toolbar. ................................................. 71
Table A. 2. List of command icons in Calculation Toolbar.............................................. 72
Table A. 3. List of common function keys. ...................................................................... 73
ix
Chapter 1
INTRODUCTION
Bioprocess simulation software
In the world of software development, systems often begin as simple and well-
understood, and normally contain elements such as creation of process flow diagrams, and
generation of material and energy balances. To meet the ultimate requirements, models become
more complex to include calculations such as equipment sizing, and capital and operating cost
estimation.
Simulation is becoming a requirement for all major process designs. Using simulation,
bioprocess engineers can identify potential problems ahead of time and take corrective action. A
common use for bioprocess simulation is for process mapping and cost analysis. Process
mapping enables investigators to analyze or predict the action of organisms in response to certain
specific inputs. Cost analysis identifies the expensive process steps and other cost items that have
major impacts overall process economics. A simulation program development must meet several
requirements, e.g. the mathematical models must be described in the ordinary differential
equations (ODE). In addition, one of the challenges for users when using such simulation tool is
accumulation of the appropriate data. Simulation can only be run until all the data is collected
and put into the system.

BioMASS v1.0
BioMASS stands for Biological Modeling and Simulation Software and was developed Bhairavi
in 2006 that included:
• Kinetics models for three different types of irreversible chemical reactions (zero, first and
second order).
• Biological kinetics where single limiting nutrient is used for simple Monod kinetics and
for multiple limiting nutrients model, which allows users to select a maximum of four
substrates and a maximum of two products. The user can also select one pair of
substitutable or complementary substrates.
• Inhibition model includes inhibitory effects of substrates, products, or xenobiotic
compounds on microbial growth.
All of these modes can be carried out in either batch or continuous operation and with a
single bioreactor or two bioreactors in series.
The advantages that the software offers include:
• Many complex equations may be solved simultaneously. In other words, a large number
of process variations can be synthesized and analyzed interactively.
• The software may be run on inexpensive workstations and laptops.
• Results may be presented as graphs and tables.
• The software may be integrated with other commonly used softwares such as Excel to
export results for file saving or further data analysis.
• The software allows the user to :
2
Simulate bioreactor experiments involving microbial species and predict the
products of the experiments.
Study the effects of key process variables, for example, initial substrate
concentration, temperature.
Investigate complex or integrated biochemical operations without the need of
expensive or complex experiment.
Study both batch and continuous bioprocesses.
• Performance characteristics can be described by mathematical expressions. Therefore,
potential problems can be investigated, and behavior under varying conditions can be
tested to allow process optimization.
• The software can be further developed to satisfy other demands, and also can be used in
training and education.
However, the aforementioned version of the BioMASS software also has several limitations,
which include:
• Programming interface is not very attractive.
• Screen resolution adjustment.
• Creation of charts takes too long.
• The application toolbar contains too few options.
• Lack of operations that help to increase cell concentration and improve product formation
such as continuous process with cell recycle.
Objectives
3
• The ultimate objective of the research is to develop a tool for bioprocess modeling, which
does not require the users to have special computer programming skills.
• The tool will include all important aspects of common bioprocess configurations but also
will be made simple and easy to understand so that it can be used by beginners who are
just starting to learn bioprocessing as well as by those who already have advanced
knowledge of the field.
• The tool will include definitions of all necessary process parameters, and also will allow
simulation by inputting values, and comparison of predicted results with actual data.
Overview of the Thesis
There are four chapters in this thesis, followed by a list of references and relevant
appendices. This section gives a brief overview of the organization of the chapters.
The current chapter (Chapter 1) gives an introduction to bioprocess modeling and the
need for process simulators exclusively to model microbial growth in bioreactors.
Chapter 2 gives detailed description and functions of BioMASS v2.0. Output samples of
irreversible chemical kinetics and biological kinetics are given in this chapter.
Chapter 3 reviews the various available process simulators including SuperPro Designer,
which is one of the best commercially available simulator packages. This chapter also gives
literature reviews of kinetics and mass balance of chemical and biological reactions that can be
used during the simulation of BioMASS. Then the simulation results are also given. The data is
obtained from published research papers. Predictive results are compared with the actual values
to validate the accuracy and utility of the simulator.
Finally, conclusions of this research are given in Chapter 4.
4
Chapter 2
BioMASS v2.0
BioMASS is a flexible, easy to use program with the characteristics as follows:
• Communicates with the user through a user friendly graphic surface.
• Simple, inexpensive tool that could be easily used by the users with minimum
training.
The primary goal of BioMASS is to create a software application where users may
choose and specify the feed, bioreactor type, operational conditions, then predicts the substrate,
product, and biomass concentration over a period of bioreactor operation. The results can be
stored in files and these files are reloadable and are printable at any time. The features of
BioMASS v2.0 are highlighted, and examples of outputs generated by BioMASS are also given
later in this chapter.
System Requirements
BioMASS will run on any PC and compatible with processor that runs
Windows2000/XP/7. The following is a more detailed description of hardware and software
requirements:
• Hard Disk: The program will occupy anywhere from 40 to 50 MB of space on
hard dish.
• Processor/RAM: 256 MB of RAM is required.
5
• Mouse: The presence of a mouse or similar pointing device supported by
Windows 2000/XP/7 is required.
• Video adapter/Monitor: The program requires a minimum resolution of
1024x768.
• Software: Microsoft Excel 2007.
Installation
The installation is very simple. First of all, copy or download all necessary files onto the
hard disk at a directory of the user’s choice. Then, double-click on the “setup” file to install the
application. Finally, start running the software by double-clicking the BioMASS icon on the
desktop.
Start Page
When the software is launched, a “Start Page” window will appear as default (Fig 2.1).
The “Start Page” displays the version number of this application along with the name of
developers and corresponding email address. The main BioMASS window, with its
accompanying toolbars and menus, closely resembles the windows the user works in for other
Window based programs. The main window for the operation consists of a menu bar, a toolbar, a
status bar, and the display field for graphic.
6
Figure 2.1. “Start Page” window.
7
Figure 2.2. Commands in “File” Menu.
8
Irreversible Chemical Kinetics
The following is the irreversible chemical reaction which is considered in the simulator:
A
→
k
B
Within the process, all the reactant A reacts to form product B. The reactant in a
bioreaction is known as the substrate.
BioMASS v2.0 supports three different kinds of kinetics models of irreversible chemical
reactions (zero, first and second order). The user interface contains four main blocks (Fig 2.3).
- The “Chemical Kinetics Reaction” block contains two textboxes for the user to enter the
name of reactant and product of irreversible chemical reaction. Changing names in those
textboxes is optional, and it does not affect to the calculation.
- The ‘Set-up” block stores the information about the initial concentrations of reactant
and product; and allows user to set the mode of operation. While the initial reactant
concentration is required for the simulation, product concentration can be zero.
Regular units such as mg/L, g/L, mg/m3, g/m3 are supported in BioMASS. The default
unit of concentration is “mg/L”. Changing the unit in a textbox will automatically change the
units of the rest of the parameters. The unit of chemical constant k will be changed with the
change of reaction order. The unit of k in zero-order reaction will be ML−3T −1 (M, L, T are
expressed as the units of mass, length, and time, respectively), or T −1 in first-order reaction, and
L3 M −1 t −1 in second-order reaction.
BioMASS provides many operation options such as batch, CSTR at Transient State, and
CSTR at Steady State. By default, the batch operation is checked. Click on “CSTR at Transient
State” to run the simulation in a given duration, or click on “CSTR at Steady State” to let the
9
simulation run until it reaches the steady state, and then the steady time is calculated and
reported. In this version, images of various operating systems are also given to help the user has
a better idea about the differences between them. The bioprocess with multiple stages is also
considered in BioMASS v2.0. Check on “Click here to add another reactor” checkbox to create
the system composed of two reactors link in series (Fig. 2.3).
- The last two blocks are “Reactor 1” and “Reactor 2”, which store information about the
physical characteristic such as volume, flow rate, dilution rate, chemical constant, etc. Each
block represents a bioreactor. By default, block of “Reactor 2” will be hidden, and it will only be
shown when “Click here to add another reactor” checkbox is selected. In each block, there is a
textbox, set with orange background, to introduce which reaction order is selected to run the
simulation (Fig 2.4). This is a good way to remind the user that the reaction order should be the
same in a multi-stage system.
If the batch operation is chosen, the physical parameters such as flow rate, volume,
dilution rate, retention time are hidden and cannot be edited by the user. If the process is set to
continuous mode, those physical parameters are shown again. BioMASS v2.0 supports to
simulate CSTR operation with flow rate or dilution rate, or retention time. The user must select
one of those options to enable the textbox.
Biological reactions just like any others are temperature sensitive because reaction rate is
a function of temperature, and this dependence may be modeled using Arrhenius or modified
Arrhenius equation. If the user selects “Temperature correction” checkbox, this will bring up a
dialog box (Fig 2.5). This dialog allows the user to calculate the effect of temperature on
chemical constant k. When this checkbox is selected, it means that the value of chemical
10
constant k has been corrected by Arrhenius equation. The user can uncheck that checkbox to
restore the original value.
Figure 2.3. “Add another reactor” checkbox is selected.
11
Figure 2.4. Simulation window of Irreversible Chemical Kinetics for zero-order reaction.
12
Figure 2.5. “Temperature Effect” window.
13
Biological Kinetics
Microbial growth is a complex phenomenon, and depending on environment conditions,
the model can be zero, first or second-order reaction. For example, the term of the Monod
equation, which is determined experimentally, makes the model fit the system investigated.
µˆ S S
µ= (3.10)
K s + SS
The specific growth rate µ is not constant, and dependent on the substrate concentration. The
value of half saturation constant K S is equal to the substrate concentration at which the growth
 µˆ 
rate µ is equal to 1/2 of µ̂  K S = S when µ =  . During low substrate concentration, reactions
 2
 µˆ S 
are first order  µ ≈ S  , while at high substrate concentrations, they are zero order (µ ≈ µ̂ ) .
 KS 
BioMASS v2.0 supports single, multiple limiting nutrient and inhibition model.
Single Limiting Nutrient
The user interface contains four main blocks (Fig 2.6).
- The “Biological Reaction” block contains two text boxes to introduce the name of
substrate and product. Some common substrate names of glucose, xylose, arabinose, fructose,
etc., and some common product names of hydrogen, ethanol, xylitol, etc. are listed in those
boxes. The user can either select one of them or enter a different name. Inputting name of
substrate and product in the bioreaction are optional, and it does not affect to the calculation.
However, this step will help to make sense for the simulation results; hence, it will be useful for
the user to review later. The default name of substrate or product will be the first name appears
in the list. If there is not any product in the user’s model, “no product” option must be selected or
14
the program will ask for it and the simulation cannot run until all necessary information is
entered.
- The ‘Set-up” block allows the user to set the mode of operation. “Single Limiting
Nutrient” provides more options than “Irreversible Chemical Kinetics”. They are batch, CSTR at
Transient State, and CSTR at Steady State, CSTR with biomass recycle, multistage CSTR with
additional feed stream. The user can select one of those options by checking on its radiobutton.
By default, the batch operation is checked. Whenever the user changes the selection, the images
in picturebox, which is used to explain that option, will also be changed. Including images for
each option is one of the improvements of BioMASS v2.0. Images help the user better
understand the differences of each option.
- The last two blocks are “Biological Reactor 1” and “Biological Reactor 2”, which store
the information about the physical characteristic such as volume, flow rate, dilution rate,
chemical constant, etc. Click on “Click here to add another reactor” checkbox to create the
system composed of two reactors linked in series. The “Biological Reactor 2” will only be shown
when this checkbox is selected.
Each block represents as a bioreactor, and in each block, there is an input data button of
“Click here to enter your data”. Clicking on this button will bring up a dialog that allows the user
to specify the operation conditions such as initial concentrations, kinetics parameters,
maintenance parameters, etc. (Fig 2.7). The feed for the microbial species in a bioreactor comes
in the form of substrate and nutrients. Depending on the substrate type, microbial species
involved and bioreactor operational conditions; different kinds of products are produced in the
bioprocess.
15
Figure 2.6. Simulation window of “Single Limiting Nutrient”.
16
Figure 2.7. “Enter Data for Bioreactor 1” window.
After defining all necessary information, the user may run the simulation. As a short-cut
for performing simulation, the user may hit CTRL + R or simply click on the button that looks
like a calculator . The user may use the following toolbar button to go back any time to
the input form to change, remove, or add any information. The “View Graph” and “View Table”
buttons are enabled once the calculations have been performed.
The “View Table” button appears as a picture of a small table . Click on this icon to
view the result of simulation in table (Fig 2.8). BioMASS v2.0 calculates and reports the
following variables in its table result: substrate and product concentration, growth rate, rate of
substrate utilization, rate of biomass formation, rate of decay, and rate of product production (Fig
2.8). The simulation is calculated by step time of 0.1. Unlike the previous version, BioMASS
17
v2.0 gives the user the flexibility of changing the time interval ( ∆t ) that is displayed in table
result. The format of table result is another improvement of BioMASS v2.0. The same format of
spreadsheet as Microsoft Excel 2007 is used. The result of each variable is presented in a
column, and the size of each column is changeable. The header of each column is the name of
calculated value and its unit. When a row in table is selected, that row will be highlighted.
The “View Graph” button appears as a picture of a small graph . After clicking this
icon, a graph popup window appears immediately and displays graphs of the calculated values
with time (Fig 2.9). BioMASS also allows the user to adjust the size of the graph by dragging on
its edges. In the previous version of BioMASS, the results are exported to Excel and then built a
graph; therefore, it takes time whenever the user would like to view graph. BioMASS v2.0
improves this disadvantage by creating the graph by itself without the help of Excel. Since
concentrations of biomass and product are usually small to compare with concentration of
substrate, when plotting them in the same graph, sometimes they cannot be seen. Therefore,
BioMASS v2.0 plots those two values in the secondary y-axis to have a better view. There are
three different graphs created in BioMASS v2.0. The first one is the graph of the calculated
values of concentration with time. The second one is the graph of the rate of substrate utilization,
the rate of biomass formation, and the rate of product production with time. The first two graphs
are arranged vertically to help the user follow the change of the nutrients with time. The last one
is the graph of growth rate with substrate concentration.
18
Figure 2.8. Simulation results of Single Limiting Nutrient were displayed in Table.
19
Figure 2.9. Simulation results of Single Limiting Nutrient were displayed in Graph.
Another improvement of BioMASS v2.0 is to allow the user save their data or results in
Microsoft Excel. The user can either select “Save Data” or “Save All”. Unfortunately, until now
the software only works effectively on Excel 2007. The saved file will include three sheets (Fig
2.10). Those sheets are named “Data”, “Results”, and “Graph”, which is used to save simulation
data, calculated values and images of graphs, respectively. This is the attempts of the developer
to make it convenient for the user. The saved file can be used to run another simulation in
BioMASS v2.0 or do further analysis.
20
Figure 2.10. Save Data, Results and Graphs in Excel.
Multiple Limiting Nutrients
When the model has more than one substrate, the user can use “Multiple Limiting
Nutrients”. The user interface contains four main blocks (Fig 2.11).
- The “Biological Reaction” block contains two textboxes which allow the user to specify
the number of substrate and product involved in the reaction. BioMASS is able to simulate up to
four substrates and two products. Since this is “Multiple Limiting Nutrients” model, the
minimum number of substrate can be chosen is two.
- The ‘Set-up” block has functions as in Single Limiting Nutrient but with fewer option.
The function only allows the user to simulate the system operation of batch and CSTR.
21
- The “Operation Parameters” block stores the information about the physical
characteristic such as simulation time, volume, flow rate, dilution rate, etc.
- The “Multiple Limiting Nutrients” block provides two types of multiple substrate
models. Since there is more than one substrate in this model, the user needs to select either
complementary substrate, which can be interactive or non-interactive model, or substitutable
substrates. Clicking on “Substrate” button, which is the red button, will open a window where
stores the information related to substrates and nutrients being fed to the bioreactor (Fig 2.11).
Clicking on “Product” button, which is the blue button, will open a window where stores the
information regarding the products of the bioprocess (Fig 2.11).
Figure 2.11. Simulation window of Multiple Limiting Nutrients.
22
When inputting data for substrate, some values are initial concentrations, biomass yield,
maximum growth rate µ max , half saturation concentration K S need to be entered to enable
running the simulation (Fig 2.12). Neglecting one of these important values will cause to appear
an error message, and the error message will keep appearing until all necessary information is
entered. The values of µ max and b for “Substrate 1” will be set constant for the rest of the
substrates. If the user selects “Temperature correction for Decay constant” or “Temperature
correction for Max Growth Rate”, this will bring up a dialog. This dialog allows the user to
calculate the effect of temperature on decay constant, b or maximum growth rate, µ max by using
the Arrhenius or Modified Arrhenius equation.
Figure 2.12. “Enter data for Substrate” window of Multiple Limiting Nutrients.
23
When inputting data for product, some values need to be entered to enable running the
simulation such as product yield, growth associated product K pg or non-growth associated
product K png or both those values, depends on product type (Fig 2.13).
Figure 2.13. “Enter data for product” window of Multiple Limiting Nutrients.
Inhibition Model
The user interface has a same format as in the “Multiple Limiting Nutrient”. In the
“Biological Reaction” block contains three textboxes which allow the user to specify the number
of substrate, product, and Xenobiotic compound involved in the reaction. BioMASS is able to
simulate up to four substrates, two products, and two Xenobiotic compounds. A minimum of one
24
substrate can be chosen, whereas for both product and Xenobiotic compound, a minimum of zero
can be selected (Fig 2.14).
Figure 2.14. Simulation window of Inhibition Model.
The user is allowed to set inhibitory for Substrate 1 and Substrate 2 (Fig 2.15). BioMASS
supports a list of substrate inhibition models of Competitive Inhibition, Non-Competitive
Inhibition, Andrew’s Model, Edward’s Model and Modified Steele’s Model. By default, the
model will be set as “No Inhibition”. In this list, there are not only names but also equations that
incorporate Monod’s equation and inhibition model, to help the user easily identify them. The
equation of a model will be highlighted every time it’s selected.
25
Figure 2.15. “Enter data for Substrate” window of Inhibition Model.
BioMASS v2.0 allows the user to set inhibitory for only Product 1 (Fig 2.16). BioMASS
supports product inhibition models of Competitive Inhibition, Non-Competitive Inhibition,
General Inhibition Term 1, General Inhibition Term 2, Modified General Inhibition Term 2. The
difference in each model can be easily seen in its equation. BioMASS allows the user to select
only one competitive inhibitory term. Therefore, if there is more than one of this term is chosen,
an error message will appear and inhibition model is automatically reset to “No Inhibition”.
26
Figure 2.16. “Enter data for product” window of Inhibition Model.
BioMASS v2.0 also accounts for the inhibitory effect of Xenobiotic Compound (Fig
2.17). BioMASS supports inhibition models of Competitive Inhibition, Non-Competitive
Inhibition, and Uncompetitive Inhibition. The user can click on the arrow in the ComboBox to
choose inhibition model for each Xenobiotic compound.
27
Figure 2.17. “Enter data for Xenobiotic Compound” of Inhibition Model.
28
Chapter 3
BIOPROCESS MODELING AND SIMULATION USING BioMASS v2.0
Y N. Phan-Thien, Caye M. Drapcho*
Department of Biosystems Engineering, Clemson University
Clemson, SC-29630, USA
*Corresponding author: Tel./Fax: +1 864 656 0378
E-mail address: cdrapcho@clemson.edu
ABSTRACT
A simulation software (BioMASS – Biological Modeling and Simulation Software) was upgraded
from the previous version and provided with additional enhancements. Several new bioprocess
configurations and their subroutines have been added. The additional processes included
continuous stirred tank reactor (CSTR) with biomass recycle, and CSTR with additional stream
in the second stage. The primary goal in the development of BioMASS v2.0 was to provide users
with a ready-to-use, expressive visual modeling tools. In this new version, output from simulation
can be visualized in graphics. Printing, exporting, and saving file options also are available. In
summary, BioMASS v2.0 offers an effective way of better understanding bioprocessing.
Keywords: bioprocess modeling; simulation; hydrogen; fermentation.
29
Nomenclature: S, substrate concentration (g/L); S 0 , initial substrate concentration (g/l); Si ,
inlet substrate concentration (g/L); S1 , glucose concentration (g/L); S 2 , xylose concentration
(g/L); S t1 , substrate concentration at t1 (g/L); S t2 , substrate concentration at t2 (g/L); X , biomass
concentration (g/L); X 0 , initial biomass concentration (g/L); X i , inlet biomass concentration
(g/L); X t1 , biomass concentration at t1 (g/L); X t2 , biomass concentration at t2 (g/L); P, product
concentration (g/L); P0 , product concentration (g/L); Pi , inlet product concentration (g/L); Pm ,
critical product concentration above which cells cannot grow (g/L); Pt1 , product concentration at
t1 (g/L); Pt2 , product concentration at t2 (g/L); n, dimensionless constant; K S , half saturation
constant (g/L); K S1 , half saturation contant of glucose (g/L); K S2 , half saturation constant of
xylose (g/L); µ , specific growth rate coefficient (h-1); µ max , maximum specific growth rate
coefficient (h-1); b, decay constant (h-1); YX / S , biomass yield (g of X / g of S); mS , substrate
maintenance constant (g of S/ g of X -h); rP , rate of production formation (g/L-h); YP / S , product
yield (g of P/ g of S); K pg , coefficient for growth associated product (g of P/g of X); K png ,
coefficient for non-growth associated (g of P/g of X); mP , substrate maintenance constant (g of
P/ g of X -h); τ , retention time (h).
INTRODUCTION
Simulation software has been used in the petroleum and chemical industries since the late
1950’s, while its practice in bioprocessing has only taken place within the last 20 to 25 years
30
(Shankin, 2000). There are several challenges in the application of process simulation software
to bioprocessing. First, most bio-products are produced by fermentation, and the metabolic
processes of the microorganisms are very complicated and often cannot be modeled precisely.
Second, most biological processes are difficult to describe mathematically or may include a large
number of highly nonlinear differential equations that, are impossible to solve without the help
of numerical methods and suitable computer software tools. Third, reliable online sensors are
lacking. Measurement devices give insight to the process, allowing operators to know what is
going on inside the system; however, some key parameters are not measurable with standard
devices. Moreover, because of recent development of bioprocess, there is limited published
information on the subject. On the other hand, simulation can only be run until all the data is
collected and put into the system.
Other factors should be taken into consideration when running the simulation. First, raw
materials and products are unidentified or have varying compositions (Shankin, 2000). Also,
identification of the residues or by-products is often difficult. Second, a vast majority of process
data are acquired online, which are measured continuously with respect to the time. However,
some important parameters such as concentrations of substrate, biomass, and product are
measure off-line, which are measured periodically or at single time point only. Biomass
measurements are frequently subject to experimental error.
Despite many challenges, new models and measurement methods are constantly being
researched and developed to overcome these difficulties. Spreadsheet applications such as
Microsoft Excel are very popular. Data is input in cells and results are displayed in variety of
graphs. This application can be very useful for bioreactor design (Gimbun, 2004). The model is
easy to operate or scale up to meet demand by changing variable values in the spreadsheet.
31
MATLAB is developed by the MathWorks, used widely by many researchers and universities. It
is a tool for computation and visualization in an integrated environment. MATLAB can be used
to investigate the effect of many important factors in bioprocesses such as pH, temperature, flow
rate, etc. (Birol, 2002). Like Excel, MATLAB provides flexibility of changing initial conditions
to scale up or optimize the model. However, processing of large amounts of data as well as
simulating models in those applications is usually time-consuming. STELLA is developed by
ISEE systems, which is easy to learn and that is the reason for its extensive use in education.
STELLA creates a diagram of the interrelationships between the components of a model.
However, STELLA is not designed for large complex system modeling but for small relatively
simple systems. Some other applications that have the same graphical icon-based interface as
STELLA such as Madonna, GoldSim and Simulink, are also becoming popular and give the user
better understanding of bioprocesses (Rizzo, 2006). Madonna is a software package developed
under National Science Foundation and National Institute of Health sponsorship. The program
has capacity to directly import STELLA models and is very useful when evaluating the relative
importance of model parameters (Nemeth, 2008).
ASPENPlus® and SuperPro® (Intelligen, Inc.) are considered to be the most two popular
tools for bioprocess industry (Shankin, 2000). They are well suited to perform basic material and
energy balances, and economic analysis. They provide a flexible flow sheet where the user
simply adds graphical icons that represent specific operation unit at any location and with any
frequency. However, the use of ASPEN Plus® and SuperPro® is often restricted to built-in
model with limited option for user-defined models or customization. In addition, the cost for
both is high; for example, it costs $15,950 to purchase a copy of SuperPro® in 2011
(http://www.intelligen.com/). SuperPro is a very powerful and flexible tool, and provides many
32
options for the user to choose; however, this is also its limitation. The user needs to be trained to
learn how to use it. Some other popular names such as Simulations Plus provides a list of
simulation software which can be used in pharmaceutical and biotechnology industries
(http://www.simulations-plus.com/), and EnviroSim or Hydromatis are developers of wastewater
treatment software (http://www.envirosim.com/, http://www.hydromantis.com/). Finally,
BioMASS v2.0 is the result of this work, which enables modeling of batch and continuous flow
biological reactors for bioprocessing (fermentation processes such as ethanol and xylitol
production), or wastewater treatment. Simulation software packages come in variety of
categories and prices; therefore, the users can select a suitable tool depends on their demand.
MODEL DEVELOPMENT
BioMASS
BioMASS was written in Visual Basic language, and includes user through a user-
friendly graphic surface (Fig 3.1). It is a flexible and inexpensive tool that could be easily used
by the user with minimum training. The primary goal of BioMASS is to create a software
application where the user can choose and specify the feed, operational conditions, to simulate
the substrate, product, and biomass concentration over a period of bioreactor operation. The
results can be stored in files and these files are reloadable and are printable at any time. The
installation is very simple, and includes copying all necessary files onto the hard disk at a
directory of the user’s choice, then starting the program by double-clicking the BioMASS icon.
33
Figure 3.1. Start Pageof BioMASS v2.0.
BioMASS simulation provides kinetics models for three different types of irreversible
chemical reactions (zero, first and second order), and three main types of biological kinetics
(single limiting nutrient, multiple limiting nutrient and inhibition model), all based on Monod
Kinetics (Fig 3.2, 3.3). The multiple limiting nutrients model allows user to select a maximum of
four substrates and a maximum of two products. The user can also select one pair of substitutable
or complementary substrates. Finally, inhibition models can be selected to model the inhibitory
effects of substrates, products, or xenobiotic compounds on microbial growth. All of these modes
34
can be carried out in either batch or continuous operation and with a single bioreactor or two
bioreactors in series.
Figure 3.2. “Enter data for Substrate” window.
35
Figure 3.3. List of supported product inhibition model in BioMASS v2.0.
In addition, BioMASS v2.0 will be a useful tool in education and training. In Help menu,
the “Notebook” command brings up a window that introduces frequently asked questions, listed
in alphabetical order, along with short answers, images, and animations to help the user has a
better understanding about bioprocess (Fig 3.4).
36
Figure 3.4. “Notebook” window in BioMASS v2.0
Kinetics Models
Kinetics is an important subject in biological engineering. It is important because it
allows researchers to determine production rates of their products, or how fast organisms will
uptake substrates, etc. BioMASS uses the well-known Monod model because of its simplicity
and capability to simulate the biological reactor. The terms of the Monod equation, which are
determined experimentally, makes the model fit the system investigated.
µˆ S S
µ= (3. 1)
K s + SS
Once the reaction rates of interest are know, their influence on the mass balance should
be evaluated. When the mass balance equation combines with reaction rate to form simple
37
mathematical models, it can be used to describe quantitatively all the materials that enter, leave
and accumulate in a reactor. Since there is no flow into or out of the reactor during reaction time
of batch operation, the mass balance equation can be express as:
dX
= µX − bX (3. 2)
dt
dS  µ r 
= − + P + mS  X (3. 3)
dt  YX / S YP / S 
dP
= rP X (3. 4)
dt
For growth associated products:
rP = K pg µ + mP (3. 5)
For non-growth associated products:
rP = K png + mP (3. 6)
For mixed growth products:
rP = K pg µ + K png + mP (3. 7)
Since there is continuous flow into and out of a CSTR, the mass balance must consider
not only changes that occur as a result of reactions within the reactor but also must include those
changes resulting from the hydraulic characteristics of the system as well.
dX  X i X 
= −  + µX − bX (3. 8)
dt  τ τ 
dS  S i S   µ r 
=  −  −  + P + mS  X (3. 9)
dt  τ τ   YX / S YP / S 
dP  Pi P 
=  −  + rP X (3. 10)
dt  τ τ 
38
When microbes are presented, different types of kinetics may be observed due to toxicity
or inhibition of the organisms or enzymes by the substrate or product. Inhibition decreases the
rate of reaction because it slows down bio-catalytic activities, and then affects the whole
bioprocess. One common expression for modeling product inhibition is given in Equation 11.
n
µ̂  P
µ= 1 −  (3. 11)
 KS   Pm 
1 + 
 S S 
BioMASS v2.0 was developed using Microsoft Visual Basic 2008, which contains
different input controls like text fields, option buttons, checkboxes, and command buttons. The
following is a sample of Visual Basic code to allow the user to add a second bioreactor in
BioMASS v2.0. If “Add2ndBioReactorCheckBox.Checked = True”, groupbox of bioreactor 2
will be shown, “Reactor2GroupBox.Show()”; or vice versa, the groupbox will be hiden,
“Reactor2GroupBox.Hide()”.The user needs to fill all the necessary data in the text fields and
make a choice from the available options to define the model. The results are then reported by
performing the forward finite differential equation calculations.
X t2 = X t1 + [(µ − b ) * X t1 ] * (t 2 − t1 ) (3. 12)
( ) ( )
Pt2 = Pt1 + [ k png * X t1 + k pg * µ * X t1 ] * (t 2 − t1 ) (3. 13)
( ) ( )
S t2 = S t1 − [ µ * X t1 / YX / S + k png * X t1 / YP / S ] * (t 2 − t1 ) (3. 14)
MODEL VALIDATION
Two case studies will be evaluated to compare simulated results with actual data.
39
Case study 1: Growth-associated product formation in batch reactor using single Monod’s
model
The bioprocess data and operating conditions required for simulation were gathered from
literature (Yu, 2007). In this case, fermentation used glucose as a single limiting nutrient, and
hydrogen was identified as primary (growth-associated) product. The bacterium of Thermotoga
neapolitana was cultured at 77oC, and the batch growth was carried out in 20 hours. The
following input variables were used to run the simulation. The maintenance requirement for
limiting substrate is assumed to be small enough to be neglected. S 0 = 5 g/L, X 0 = 0.001 g/L,
P0 = 0, µ max = 0.94 h-1, K S = 0.57 g/L, b = 0.01 g/L, YX / S = 0.248 g XB/g S, YP / S = 0.0286 g H2/g
S, k pg = 0.115 g H2/g XB.
Batch fermentation
Simulation was carried out to determine the suitability of Monod’s model for hydrogen
production in a batch system. The experimental results reported in literature were used to verify
the models developed (Yu, 2007). The time course of predicted concentrations was compared
with experimental values (Fig 3.5). The effect of product inhibition was taken into consideration
with Pm = 27 mmol/L and n =1 (Drapcho, 2008). The Monod model was incorporated with
product inhibition kinetics to describe the batch growth of Thermotoga neapolitana. The
comparisons demonstrated a good agreement between data from simulations with experimental
data. After 20 hours of fermentation, biomass concentration of 0.5 g/L and hydrogen
concentration of 26.7 mmol/L were observed.
40
Figure 3.5. Experimental (points) and simulated (lines) profiles of substrate, biomass and H2
concentration in a batch system including impact of H2 inhibition.
Figure 3.7 shows a plot of studentized residual against simulated biomass concentration.
A pattern of overprediction values at low concentration and underprediction at high
concentration is evident, indicating some factor impacting biomass concentration is not being
considered. However, studentized residual values range within ± 2 standard deviations,
indicating good fit of predicted values to actual observations.
41
Figure 3.6. Studentized residual plot for glucose concentration.
Figure 3.7. Studentized residual plot for biomass concentration.
Figure 3.8 indicates that BioMASS accurately predicts H2 concentration, but with the
same pattern as Figure 3.7.
42
Figure 3.8. Studentized residual plot for Hydrogen concentration.
In Figure 3.9, significant differences between the experimental and simulated results
were observed when the impact of inhibition not included. The growth models that incorporate
the production inhibition parameter gave better fits to the experimental data compared to the
models with only growth parameters. The predicted concentrations of biomass and hydrogen
were much greater than those obtained from experiment, and glucose was depleted rapidly. After
10 hours of fermentation, no further glucose consumption or hydrogen production occurred. This
was batch operation, which means no material was either added or removed from the bioreactor;
therefore, there was potential of H2 inhibition due to increasing H2 concentration in bioreactor. If
headspace gas was removed during incubation to avoid production prohibition, the hydrogen
simulated could be doubled (71.3 mmol/L).
43
Figure 3.9. Experimental (points) and simulated (lines) profiles of substrate, biomass and H2
concentration in a batch system without including impact of H2 inhibition.
When glucose was used as the carbon source, hydrogen production increased with an
increase of glucose concentration. In Figure 3.10, there was no significant difference in
simulated H2 production between initial glucose concentration of 5 g/L, 10 g/L and 20 g/L. Due
to the effect of product inhibition, there was no potential to increase hydrogen production in this
system, and 5 g/L is practical upper limit for initial glucose concentration if H2 gas is not
removed.
44
Figure 3.10. Simulated profiles of H2 concentration with various initial glucose concentration in
a batch system including impact of H2 inhibition.
A sensitivity analysis was conducted and compare with experimental data to determine
the impact of µ max , K S , and YX / S (Fig 3.11, 3.12, 3.13). Due to impact of product inhibition,
there is no change in final H2 concentration. However, the rate of hydrogen production was
increased with the increase of µ max . At µ max = 4.7 h -1 , 26.5 mmol/L of H2 was achieved only after
4 hours of fermentation (Fig 3.11). On the other hand, the rate of H2 production was decreased
when increased K S , and it took 20 hours of fermentation to reach 26.5 mmol/L of H2 at
K S = 2.85 g/L (Fig 3.12). In Figure 3.13, H2 concentration is increased with the increase of YX / S ;
however, there is no significant difference between YX / S = 0.248 g X/ g S and YX / S = 0.496 g X/
g S. The results of sensitivity analysis demonstrated a good agreement between estimated values
and experimental data.
45
Figure 3.11. Simulated profiles of H2 concentration with different µ max values in a batch system
including impact of H2 inhibition.
Figure 3.12. Simulated profiles of H2 concentration with different K S values in a batch system
46
Figure 3.13. Simulated profiles of H2 concentration with different YX / S values in batch system
CSTR fermentation
One of the advantages of BioMASS development is to investigate the behavior of
bioprocess under varying conditions. The results can be analyzed to allow process optimization.
In this case, in order to improve the production of hydrogen, CSTR operation was suggested. In a
batch system, the cumulative hydrogen production ceases once the cells reached their stationary
phase. Using a continuous system, it was possible to maintain the cell concentration by
maintaining a specific favorable retention time. Consumption of substrate was found to increase
with increase in retention time and the percent of glucose conversion was about 0.002% at a
retention time of 1 hour (Table 3.1).
47
Table 3.1. Simulated results of hydrogen production at different retention time.
Glucose conversion Biomass concentration Rate of H2 production

Retention time (h)
(%) (g/L) (mmol/L-h)
1 0.002 0 0
1.25 0.16 0.002 0.1
1.5 2.222 0.0272 1.3
2 48.648 0.5957 25.8
3 94.418 1.1366 20.2
4 95.668 1.1453 17.05
6 97.394 1.1506 11.55
8 98.13 1.1476 8.75
10 98.538 1.1435 7
Figure 3.14 shows time course of substrate utilization, biomass growth and hydrogen
production in a CSTR system at HRT of 6 hours. After 12 hours, cell growth and product
formation entered a steady state. Two graphs were arranged vertically so that the user can easily
follow the changing of nutrient concentrations with time. Hydrogen production increased with
fermentation time. After 20 hours of fermentation, hydrogen concentration of 69.45 mmol/L was
achieved, corresponding to more 2.5 times than that of batch operation (27 mmol/L). The final
cell density climbed up to 1.14 g/L to compare with 0.43 g/L of batch operation.
48
Figure 3.14. Simulated results of hydrogen production in a CSTR system at HRT of 6h.
Figure 3.15 shows the simulation results of steady state concentration of glucose, biomass
and hydrogen. It was evident that steady state concentration of hydrogen increased when the
HRT was increased from 1 to 3 hours. After 3 hours, the concentrations remained almost
constant throughout the run. There was no siginificant difference in concentration of glucose,
biomass, and H2 between HRT of 3 hours and 10 hours. The minimum retention time should be
more than 1 hour. Low retention time may result in washout of slow growing cell.
49
Figure 3.15. Simulated profiles of glucose, biomass and H2 concentration at various retention
time in a CSTR system.
To investigate the effect of initial substrate concentration, simulation of various
concentration of glucose were performed (Fig. 3.16). As a result, 69.45, 140.75 and 285.05
mmol/L of hydrogen concentration were obtained from 5, 10, and 20 g/L of glucose
concentration, respectively. The highest rate of hydrogen production for an initial substrate
concentration of 5 g/L was 34.05 mmol/L-h, whereas with an initial substrate concentration of 20
g/L the maximum rate of hydrogen production was 189.35 mmol/L-h (Table 3.2). The results
suggested that high production of hydrogen might be obtained if continuous operation was
employed.
50
Table 3.2. Simulated results of rate of H2 production with different initial substrate concentration
in a batch system.
Initial substrate H2 concentration Rate of H2 production

concentration (g/L) (mmol/L) (mmol/L-h)
5 69.45 34.05
10 140.75 82.5
20 285.05 189.35
Figure 3.16. Simulated profiles of H2 concentration at various initial glucose concentration in a

CSTR system at HRT of 6 hours.
Case study 2: Xylitol production from xylose and glucose as multiple substitutable nutrients
Fermentation used glucose and xylose as a multiple substitutable nutrients. The
microorganism prefers glucose over the other and will inhibit the use of the xylose. Since
glucose (S1) is preferred, then the growth rate of the microorganism using xylose (S2) will be
modeled as a function of S2 with inhibition by S1 as follows:
51
 S1 
µ1 = µˆ   (3. 15)
 K S 1 + S1 
 S  K 
µ 2 = f * µˆ  2

 K + S 
S1
(3. 16)
K
 S2 + S 2  S1 1 
Yeast strain of Candida was cultured at 30oC, and the batch growth was carried out in 35
hours (Pfeifer, 1996). Xylitol production was modeled as nongrowth-associated product. The
following input variables were used to run the simulation. SGlu = 7 g/L, S Xyl = 28 g/L, X 0 = 0.01
g/L, P0 = 0, µ max = 0.8 h-1, f = 0.4, K S1 = 1 g/L, K S 2 = 7 g/L, b = 0.1 h-1, YX / SGlu = 0.16 g X/g SGlu,
YX / S Xyl = 0.45 g X/g SXyl, YP / S Xyl = 0.55 g xylitol/g xylose, k png = 0.3 g xylitol/g X.
The time course of predicted concentrations was compared with experimental values (Fig
3.17). After 10 hours of fermentation, glucose was utilized completely. After 20 hours of
fermentation, complete xylose utilization was observed and 17.57 g/L of xylitol concentration
was obtained. The comparisons demonstrated a good agreement between data from simulations
with experimental data (Pfeifer, 2000).
52
Figure 3.17. Experimental (points) and simulated (lines) profiles of glucose, xylose and xylitol
concentration in a batch system.
A same pattern of studentized residual was observed in Figure 3.19, indicating some
factor impacting xylitol concentration was not being considered during the simulation.
Figure 3.18. Studentized residual plot for xylose concentration.
53
Figure 3.19. Studentized residual plot for xylitol concentration.
A sensitivity analysis was conducted and compare with experimental data to determine
the impact of µ max , K S , and YX / S (Fig 3.20, 3.21, 3.22, 3.23, 3.24). The results indicate that the
model is not sensitive to small changes in data. However, when those values were increased 20%
or 50%, they had significant effect on xylitol production.
54
Figure 3.20. Simulated profiles of xylitol concentration with different µ max values in a batch
system.
Figure 3.21. Simulated profiles of xylitol concentration with different K S1 values in a batch
system.
55
Figure 3.22. Simulated profiles of xylitol concentration with different K S2 values in a batch
system.
Figure 3.23. Simulated profiles of xylitol concentration with different YX / S1 values in a batch
system.
56
Figure 3.24. Simulated profiles of xylitol concentration with different YX / S2 values in a batch
system.
To investigage the effect of ethanol on the xylitol production, simulation of glucose and
xylose fermentation was carried out to produce xylitol as non-growth associated product and
ethanol as growth associated product ( k pg = 4 g ethanol/g X and YP / SGlu = 0.51 g ethanol/g
glucose) (Krishnan, 1999). As shown in Figure 3.25, all the glucose in the medium was
converted to ethanol before xylose utilization started. Ethanol production was very rapid and
occurred within 10 hours after the start of fermentation and remained almost constant throughout
the run. After 35 hours of fermentation, lower xylitol concentration of 15.76 g/L was achieved,
compared with 17.57 g/L in the absence of ethanol. It’s evident that the ethanol produced from
utilization of the glucose partitially inhibits xylitol formation; therefore, the presence of ethanol
could account for the decrease in the xylitol concentration. Although the effect is not significant,
57
if xylitol is the desired product, it would be necessary to remove the ethanol formed from the
fermentation in order to attain high xylitol concentration.
Figure 3.25. Simulated profiles of glucose, xylose, xylitol and ethanol concentration in a batch
system.
The initial glucose concentration was varied from 0 g/L to 112 g/L to evaluate its effect
on the fermentation, while the initial xylose concentration of 28 g/L remained the same (Table
3.3). A higher concentration of glucose produced a higher concentration of ethanol, while during
the increase of xylose concentration, ethanol concentration was approximately the same (Table
3.4). This was because ethanol mostly produced by the fermentation of glucose. The effect of
different ratio of glucose to xylose on xylitol production rate was investigated. At the ratio of
0:1, there is no glucose and the fermentation process uses xylose as single limiting nutrient, only
3.91 g/L of xylitol concentration was observed, which is lower than value obtained at the feeding
ratio of 0.25:1 (14.73 g/L) or 0.5:1 (16.52 g/L). The initial glucose concentration is an important
factor to obtain a high xylitol production. However, at high concentration of glucose, xylose
58
utilization was repressed and ethanol produced from glucose caused reduction in xylitol
concentration. Therefore, the xylitol production rate at the ratio of 2:1 (1.74 g/L-h) was lower
than the value obtained at the ratio of 1:2 (2.52 g/L-h). In this study, the xylitol concentration
was maximum at a glucose/xylose feeding ratio of 1:4 (70.13 g/L).
Table 3.3. Simulated results of xylitol and ethanol concentration with different initial glucose
Ratio Xylitol (g/L) Ethanol (g/L) Rate of Rate of

xylitol ethanol
production production
(g/L-h) (g/L-h)
0:1 (0 g/L Glu + 28 g/L Xyl) 3.91 0 0.54 0
0.25:1 (7 g/L Glu + 28 g/L Xyl) 14.73 1.98 0.9 0.72
0.5:1 (14 g/L Glu + 28 g/L Xyl) 16.52 3.97 1.02 1.71
1:1 (28 g/L Glu + 28 g/L Xyl) 19.27 7.98 1.26 3.9
2:1 (56 g/L Glu +28g/L Xyl) 24.29 16.12 1.74 8.6
4:1 (112 g/L Glu + 28 g/L Xyl) 33.78 32.07 2.68 18.45
Table 3.4. Simulated results of xylitol and ethanol concentration with different initial xylose
Ratio Xylitol (g/L) Ethanol (g/L) Rate of Rate of

xylitol ethanol
production production
(g/L-h) (g/L-h)
1:0.25 (28 g/L Glu + 7 g/L Xyl) 7.43 7.99 0.54 3.87
1:0.5 (28 g/L Glu + 14 g/L Xyl) 11.06 7.99 0.72 3.88
1:1 (28 g/L Glu + 28 g/L Xyl) 19.27 7.99 1.26 3.9
1:2 (28 g/L Glu + 56 g/L Xyl) 36.38 7.99 2.52 3.91
59
1:4 (28 g/L Glu + 112 g/L Xyl) 70.13 7.99 5.25 3.91
CONCLUSION
Experimental data was used to verify the model established in this work, and satisfactory
simulation results were obtained. With the verification of two cases for production of hydrogen
and xylitol, the model in the present work were demonstrated to be suitable for describing the
kinetics of substrate utilization, biomass growth and product formation, which can thus be used
for optimizing the process. By using BioMASS v2.0, the users can perform a series of “what if”
simulations assuming different process scenarios. In addition, the program provides a cheaper
alternative for the user compared with costly commercial software. SuperPro or Aspen can
provide sophisticated modeling for bioprocess. However, such simplified program as BioMASS
is still very useful, which can model typical biological systems with satisfactory results.
ACKNOWLEDMENTS
I wish to express my deepest gratitude to Dr. Caye Drapcho for suggesting the topic of
this thesis as well as her professional guidance and constructive criticism. I am also greatly
indebted to Dr. Nhuan Nghiem, whose valuable advices, and enduring motivation and support
were of inestimable value. Sincere thanks are also to him for critical review of my thesis. I also
would like to thank Dr. Walker for giving useful lectures which helped me a lot to complete this
thesis.
60
REFERENCES
Birol, G., Undey, C., Cinar, A., A modular simulation package for fed-batch fermentation:
penicillin production, Computers and Chemical Engineering, 2002.
Drapcho, C. M., Nghiem, P. N., Walker, T. W., Biofuel engnieering process technology, 2008.
GimBun, J., Radiah, A. B. D., Chuah, T. G., Bioreactor design via spreadsheet - a study on the
monosodium glutamate (MSG) process, Journal of Food Engineering, 2004.
Krishnan, M. S., Fermentation kinetics of ethanol production from glucose and xylose by
Recombinant Saccharomyces 1400 (pLNH33), Applied Biochemistry and Biotechnology, 1999.
Nemeth, A., Sevella, B., Development of a new bioprocess for production of 1,3 – propandiol I.:
Modeling of Glycerol bioconversion to 1,3 – propanediol with Klebsiella pneumoniae enzymes,
Appl Biochem Biotechnol, 2008.
Rizzo, D. M., The comparison of four dynamic systems-based software packages: Translation
and sensitivity analysis, Environmental Modeling and Software, 2006.
Pfeifer, M. J., Effect of culture conditions on Xylitol production by Candida guilliermondii FTI
20037, Appl Biochem Biotechnol, 1996.
Shanklin, T., Selection of bioprocess simulation software for industrial applications, Biotechnol
Bioeng, 2000.
Shi, J., Functional Food Ingredients and Nutraceuticals: Processing Technologies (Functional
Foods and Nutraceuticals), 2006.
Yu, X., Biohydrogen production by the hyperthermophilic bacterium Thermotoga Neapolitana,
2007.
61
Chapter 4
CONCLUSION
Experimental data was used to verify the model established in this work, and satisfactory
simulation results were obtained. With the verification of two cases for production of hydrogen
and xylitol, the model in the present work were demonstrated to be suitable for describing the
kinetics of substrate utilization, biomass growth and product formation, which can thus be used
for optimizing the process. By using BioMASS v2.0, the users can perform a series of “what if”
simulations assuming different process scenarios. In addition, the program provides a cheaper
alternative for the user compared with costly commercial software. SuperPro or Aspen can
provide sophisticated modeling for bioprocess. However, such simplified program as BioMASS
is still very useful, which can model typical biological systems with satisfactory results.
Future Scope
pH is an important factor in biological system; therefore, in the future, BioMASS should
be designed to allow the user to investigate the effect of pH on final concentrations. Moreover,
besides batch and CSTR operation, fed-batch approach is popular for using in fermentation
process; therefore, BioMASS application should also include it. BioMASS v1.0 and v2.0 were
only designed to work on Window platform, future working system of BioMASS can be Mac
and Iphone application.
62
APPENDICES
63
APPENDIX A
COMMANDS IN BioMASS v2.0
Menu Bar
The menu bar lists the available menus. A menu contains a list of commands. Some
commands carry out an action immediately; others display a dialog box so that the users can
select options. The user will know that a command will display a dialog box if it is followed by
three periods (...). The user can choose commands from a menu or toolbar, or the user can use
shortcut keys. The keyboard shortcut keys are listed on the menu to the right of the command.
The menu bar at the top of the screen containing the following headings: File, View, Tools,
Windows and Help.
- File Menu:
• Irreversible Chemical Kinetics: This command has three sub choices of “Zero
Order”, “First Order”, and “Second Order” reaction.
• Biological Kinetics: This command has three sub choices of “Single Limiting
Nutrient”, “Multiple Limiting Nutrients”, and “Inhibition Model”.
• Open File: This command brings up a dialog box to open a previous saved file.
BioMASS v2.0 supports file format of Microsoft Excel (*.xls)
• Save Data: Choosing this option will raise a dialog that allows you to determine
the location in which you want the current simulation to be saved and the name
64
under which you want to save it. Since BioMASS only supports file format of
Excel, the filename will always end in .xls. To use this option, the user should
have the corresponding Microsoft Excel object, which is usually supplied with the
Microsoft Office package, registered on the computer.
• Save All: It is the same as “Save Data”, but this command allows the user to save
both data and calculated results in Microsoft Excel.
• Print Preview.
• Print: The user can choose File > Print or Ctrl + P keyboard shortcut to print the
current window.
• Exit: Use this command to exit the program. If any test results remain open, a
dialog will appear asking whether or not the user wishes to save the results.
Figure A. 1. Commands in “View” Menu.
- View Menu:
65
• Toolbar: Select the command when the user wants to show or hide the toolbar.
Check mark is display in the menu when the corresponding option is selected.
• Status Bar: This command displays or hides the status bar at the bottom of the
main window, which shows information about the current state of the program.
Check mark is display in the menu when the corresponding option is selected.
• Full Screen/ Exit Full Screen: In full screen view, the application window is
maximized and status bar as well as toolbar is removed. The users can restore
these by clicking “Exit Full Screen”.
• Show Start Page: Click this command to show the Start Page again.
Figure A. 2. Commands in “Tools” Menu.
- Tools Menu:
66
• Zoom in: The size of image can be changed by using the Zoom-in (+) commands
on the View menu. This function lets the users get a closer view of bioreactors.
• Clear Form: BioMASS v1.0 does not allow the users to view and compare the
results of zero, first, and second order of irreversible chemical kinetics.
Fortunately, BioMASS v2.0 can handle that. When the users click on a button of
“Zero Order” or “First Order” or “Second Order” on standard toolbar, the current
project is opened, not a new project. Therefore, if the users want to start a new
project, they need to click on “Clear All” to clear all data and results of the
current project. In other words, choosing this option will erase all existing
variables from the workplace, and start a new project.
Figure A. 3. Commands in “Windows” Menu.
- Windows Menu: When the user has multiple windows open, they can be arranges that the user
can see all or part of each window.
67
• Cascade: An arrangement of windows such that they overlap one another.
Typically, the title bar remains visible so that the user can always see which
windows are open.
• Tile Vertical: Every window is completely visible, and they are arranged
vertically.
• Tile Horizontal: Every window is completely visible, and they are arranged
horizontally.
• Close All: Close all the opening windows.
Figure A. 4. Commands in “Help” Menu.
- Help Menu:
68
• Notebook: This command brings up a window that introduces frequently asked
questions, listed in alphabetical order, along with short answers, images, and
animations to help the user has a better understanding about bioprocess.
• About Biomass v2.0: Displays the version number of this application and
introduces information related to the software version.
Figure A. 5. “Notebook” window.
69
Figure A. 6. “About BioMASS v2.0” window.
Standard Toolbar
Figure A. 7. Standard Toolbar and Calculation Toolbar.
70
This toolbar includes commands that are used more often. They are arranged in a toolbar
to faster access with a mouse click. Tooltips explaining the functions of each button are
displayed if you hold the mouse pointer over the desire button.
Icon is a considerably important part in user interface. It means that users can understand
the function represented by the icon and further learn how to use the function. Icon interface can
reduce the trouble of memorizing functions for users. The list of command icons and their
description are summarized in Table.
Table A. 1. List of command icons in Standard Toolbar.
Icon Description
Open saved file.
Save data in Microsoft Excel.
Save both data and simulation results in Microsoft Excel.
Open Irreversible Chemical Kinetic Project (Zero Order)
Open Irreversible Chemical Kinetic Project (First Order)
Open Irreversible Chemical Kinetic Project (Second Order)
Open Single Limiting Nutrient Project.
Open Multiple Limiting Nutrients Project.
Open Inhibition Model Project.
71
Zoom In selected images.
Clear All data and results from current running project.
Answer frequently asked questions (FAQs) about bioprocess.
Calculation Toolbar
Table A. 2. List of command icons in Calculation Toolbar.
Icon Description
Come back to input data form.
Run the simulation
Results can be presented in suitable graphs. Click this button to view them.
Click to view table.
Scroll Bars
When the window is zoomed-in or zoomed-out, Scroll Bars appear that you can use to
view information that exists beyond the borders of the window. When you can view all the
contents of the window without scrolling, the Scroll Bars are absent. Drag a Scroll Box or click
on the Scroll Arrows to scroll the window.
72
Figure A. 8. Scroll Bar and Status Bar
Status Bar
The status bar is displayed at the bottom of BioMASS window. The left side of the status
bar is “Progress Bar”. When “Progress Bar” is full, it indicates that the program is ready;
otherwise, it indicates that the program is running. The right side of the status bar shows the
current date and time and indicators of the following keys when they are latched down:
Table A. 3. List of common function keys.
Indicator Description
73
CAP The Caps Lock key is latched down.
NUM The Num Lock key is latched down.
Default input data values
Default values for most of the input parameters required for simulating the effects of each
operation are already preset and displayed the first time you open the input simulation dialog for
operation.
74
APPENDIX B
DETAILS OF “NOTEBOOK” COMMAND
The following are common questions which are listed in alphabetical order, along with short
answers, images, and an animation to help the user has a better understanding about bioprocess.
Q: What is Arrhenius equation?
A: The effect of temperature on chemical or biological reactions can be described by the
Arrhenius equation which was created in 1889, by Svante Arrhenius, a chemist from Sweden.
k = A * e − Ea / RT
where:
k: rate constant. The unit will vary depending on the order of the reaction.
A: Arrhenius constant. It is a factor that is determined experimentally, and it varies with
different reactions.
Ea: activation energy, (KJ/mol ). This is the minimum energy needed for the reaction to
occur.
R: gas constant. Its value is 8.314 J/mol K.
T: the absolute temperature in which the reaction takes place, and has to be measured in
Kelvin.
* Using the Arrhenius equation to investigate:
75
- The effect of a change of temperature: If the temperature is increased, (-Ea/RT) is a smaller
number; therefore, A*exp(-Ea/RT) is a larger number. This means the rate constant will be
larger and the rate is faster.
- The effect of a catalyst: Catalyst is a substance that provides an alternative way, which has
lower activation energy, for the reaction to happen. If Ea is decreased, (-Ea/RT) is a smaller
number; therefore, A*exp(-Ea/RT) is a larger number. This means the rate constant will be larger
and the rate is faster.
Q: What is activation energy?
A: This is the minimum energy needed for the reaction to occur. Before the reactants can be
converted into products, the free energy of the system must overcome the activation energy for
the reaction.
Q: What is batch operation?
A: Operation is characterized by three periods of time: the filling period, the cell growth period,
and the emptying period. No additional material is added or removed from the bioreactor.
Concentration of biomass, substrate, and product change continuously with respect to time.
Q: What are competitive substrate inhibitors?
A: A competitive inhibitor has a shape similar to that of the normal substrate. The substrate and
inhibitor compete for the active site. If the inhibitor binds to the active site, it prevents the
binding of the substrate.
76
Q: What are complementary substrates?
A: Complementary substrates are those that meet different needs for the microorganism. For
example: oxygen may serve as electron acceptor for yeast growth while glucose serve as electron
donor.
If complementary substrates are present in the media, there can be an interactive model (both
substrates influence growth rate) or non-interactive model (assumes that one substrate limits
growth).
Q: What is CSTR operation?
A: The substrate is continuously fed to the bioreactor whereas the broth is continuously
withdrawn at rate equal to feed rate to maintain constant bioreactor volume. The bioreactor will
achieve a steady state after a transient period. Also, this is an open system with constant reaction
rate and cell density at steady state
Q: What is CSTR with biomass recycle operation?
In order to overcome washout problems and increase cell concentration within the continuous
bioreactor, a portion of cells from the outlet stream can be recycled back to the bioreactor.
Q: What is First Order reaction?
A: Rate is directly proportional to the concentration of the reactant. Doubling the concentration
increases the rate by a factor of 2.
rate = −k[ A]
 A
ln   = −kt
 A0 
77
where: A, A0:concentration of A (mass/volume) at t, t = 0, respectively
k: rate constant, (1/time).
t: reaction time
If the reaction is first-order, a plot of ln[A] verus t should be linear.
Q: What is irreversible chemical reaction in biological modeling?
A: It is a simplified or overall reaction that occurs in a biological system usually with respect to a
single compound.
A
→
k
B
where: A is reactant, B is product, k is reaction rate constant.
Q: What is Interactive Multiple Substrate Model?
A: The interactive model is based on the assumption that both (or all) of the complementary
substrates can influence the specific growth rate. For a two complementary substrate system then
the specific growth rate is given as:
 S1  S 2 
µ = µˆ   
 K S + S1  K S + S 2 
 1  2 
where:
S1 is the substrate 1
K S1 is the half saturation constant for substrate 1
78
Q: What is multistage system?
A: A second reactor is added in series with the first rector such that the output of first reactor is
the input for second reactor. Therefore, the final concentration in the first reactor becomes the
initial concentration in the second reactor.
Q: What are non-competitive substrate inhibitors?
A: A non-competitive inhibitor does not bind to the active site but attaches to an enzyme at some
other place. The attachment causes the shape of the active site to change, preventing the
formation of an enzyme-substrate complex.
Q: What is Non-Interactive Multiple Substrate Model?
A: The non-interactive model is based on the assumption that only one nutrient can be rate
limiting at a time. For a two complementary substrate system then the specific growth rate is
given as:
 S1   S 2  
µ = µˆ  ,  
 K S1 + S1   K S2 + S 2  
where:
Q: What is product inhibition?
79
A: At high product concentrations, microbial growth rate is inhibited by the product. Product
inhibition of growth may be competitive or non-competitive.
Q: What is Reaction Order?
rate = − k [ A]
m
where:
k: rate constant
m:the order of the reaction
If m = 0, the reaction is said to be "zero-order".
If m = 1, the reaction is "first-order".
If m = 2, it is "second-order", and so on.
The reaction order is integral (0, 1, 2...), but fractional orders such as 3/2 are possible.
Q: What is Second Order reaction?
rate = − k [ A]
2
The rate is to the square of the concentration of the reactant. Doubling the concentration
increases the rate by a factor of 4.
1 1
− = kt
[A] [A0 ]
where: A, A0 is concentration of A (mass/volume) at t, t = 0, respectively
k: rate constant, (volume/mass-time).
t: reaction time
80
If the reaction is second-order, a plot of 1/[A] verus t should be linear.
Q: What is Steady state?
A: Steady state is the one in which there are no accumulations of the constituent in the reactor.
Therefore, the concentration of the constituent is constant.
Q: What are substitutable substrates?
A: Substitutable substrates are those that meet the same needs for the microorganism. For
example: glucose and xylose use by yeasts such as Candida may be viewed as substitutable
substrates. If substituable substrate are present in the media, one compound may be preferred by
the microorganism over the other.
Q: What is substrate inhibition?
A: At high substrate concentrations, microbial growth rate is inhibited by the substrate. Substrate
inhibition of growth may be competitive or non-competitive.
Q: What is Transient State?
A: Transient state is the one in which there are mass accumulations of the constituent in the
reactor. Therefore, the concentration of the constituent is variable with time.
Q: What is Xenobiotic Compound?
A: The term xenobiotic is derived from the Greek words xenos = foreigner, stranger and bios =
life. A xenobiotic is a chemical which is found in an organism but which is not normally
81
produced in it. For example, antibiotics are xenobiotics in humans because the human body does
not produce them itself.
The term xenobiotics is very often used in the context of pollutants, and some of them are
resistant to degradation.
Q: What is Zero Order reaction?
Rate is independent of the concentration of reactant. Doubling concentration has no effect on
rate.
rate = −k
[A] − [A0 ] = kt
where:
A, A0: concentration of A (mass/volume) at t, t = 0, respectively
k: rate constant, (mass/volume-time).
t: reaction time
If the reaction is zero-order, a plot of [A] verus t should be linear.
82
APPENDIX C
VB CODE FOR ZERO-ORDER CHEMICAL REACTION
#Region "Load event"

Private Sub ZeroOrder_Load(ByVal sender As Object, ByVal e As System.EventArgs) Handles Me.Load
'CAPS-NUM
CheckLockKeys()
'BackColor
BatchPicturePanel.BackColor = Color.White
CSTRPicturePanel.BackColor = Color.White
ChemKineticsPanel.AutoScroll = True
ChemKineticsPanel.Dock = DockStyle.Fill
'Reactant Name
ReactantNameComboBox.Items.Add("Reactant")
ReactantNameComboBox.Text = ReactantNameComboBox.Items(0).ToString
'Product Name
ProductNameComboBox.Items.Add("Product")
ProductNameComboBox.Text = ProductNameComboBox.Items(0).ToString
'Button
BackToolStripButton.Enabled = False
CalculateToolStripButton.Enabled = True
GraphToolStripButton.Enabled = False
TableToolStripButton.Enabled = False
'Operation Parameters
Call ChemReactor1_Load()
'Enable
Call ClickClickClick()
'Show GroupBox
Call ShowGroupBox()
End Sub
#End Region
#Region "Call ChangeUnit"
#Region "Call ChangeUnit_SimulationTime_Volume_ReactantConc"

Private Sub ChangeUnit_SimulationTime_Volume_ReactantConc()
'Zero Order, mins, L, mg/L

If SimulationTimeComboBox.Text = "(mins)" AndAlso _
VolumeComboBox.Text = "(L)" AndAlso _
ReactantConcComboBox.Text = "(mg/L)" Then
'Reactor 1
FlowRateComboBox.Text = "(L/mins)"
RetentionTimeComboBox.Text = "(mins)"
DilutionRateComboBox.Text = "(1/mins)"
ConstkComboBox.Text = "(mg/L-mins)"
'Reactor 2
SimulationTimeR2ComboBox.Text = "(mins)"
StepTimeR2ComboBox.Text = "(mins)"
FlowRateR2ComboBox.Text = "(L/mins)"
RetentionTimeR2ComboBox.Text = "(mins)"
DilutionRateR2ComboBox.Text = "(1/mins)"
ConstkR2ComboBox.Text = "(mg/L-mins)"
'Zero Order, mins, L, g/L

ElseIf SimulationTimeComboBox.Text = "(mins)" AndAlso _
ReactantConcComboBox.Text = "(g/L)" Then
'Reactor 1
ConstkComboBox.Text = "(g/L-mins)"
'Reactor 2
83
ConstkR2ComboBox.Text = "(g/L-mins)"
'Zero Order, mins, m3, g/m3

VolumeComboBox.Text = "(m3)" AndAlso _
ReactantConcComboBox.Text = "(g/m3)" Then
'Reactor 1
FlowRateComboBox.Text = "(m3/mins)"
ConstkComboBox.Text = "(g/m3-mins)"
'Reactor 2
FlowRateR2ComboBox.Text = "(m3/mins)"
ConstkR2ComboBox.Text = "(g/m3-mins)"
'Zero Order, mins, m3, mg/m3

ReactantConcComboBox.Text = "(mg/m3)" Then
'Reactor 1
ConstkComboBox.Text = "(mg/m3-mins)"
'Reactor 2
ConstkR2ComboBox.Text = "(mg/m3-mins)"
'Zero Order, hours, L, mg/L

ElseIf SimulationTimeComboBox.Text = "(hours)" AndAlso _
'Reactor 1
FlowRateComboBox.Text = "(L/hours)"
RetentionTimeComboBox.Text = "(hours)"
DilutionRateComboBox.Text = "(1/hours)"
ConstkComboBox.Text = "(mg/L-hours)"
'Reactor 2
SimulationTimeR2ComboBox.Text = "(hours)"
StepTimeR2ComboBox.Text = "(hours)"
FlowRateR2ComboBox.Text = "(L/hours)"
RetentionTimeR2ComboBox.Text = "(hours)"
DilutionRateR2ComboBox.Text = "(1/hours)"
ConstkR2ComboBox.Text = "(mg/L-hours)"
'Zero Order, hours, L, g/L

'Reactor 1
ConstkComboBox.Text = "(g/L-hours)"
'Reactor 2
ConstkR2ComboBox.Text = "(g/L-hours)"
'Zero Order, hours, m3, g/m3

'Reactor 1
FlowRateComboBox.Text = "(m3/hours)"
ConstkComboBox.Text = "(g/m3-hours)"
'Reactor 2
84
FlowRateR2ComboBox.Text = "(m3/hours)"
ConstkR2ComboBox.Text = "(g/m3-hours)"
'Zero Order, hours, m3, mg/m3

'Reactor 1
ConstkComboBox.Text = "(mg/m3-hours)"
'Reactor 2
ConstkR2ComboBox.Text = "(mg/m3-hours)"
'Zero Order, days, L, mg/L

ElseIf SimulationTimeComboBox.Text = "(days)" AndAlso _
'Reactor 1
FlowRateComboBox.Text = "(L/days)"
RetentionTimeComboBox.Text = "(days)"
DilutionRateComboBox.Text = "(1/days)"
ConstkComboBox.Text = "(mg/L-days)"
'Reactor 2
SimulationTimeR2ComboBox.Text = "(days)"
StepTimeR2ComboBox.Text = "(days)"
FlowRateR2ComboBox.Text = "(L/days)"
RetentionTimeR2ComboBox.Text = "(days)"
DilutionRateR2ComboBox.Text = "(1/days)"
ConstkR2ComboBox.Text = "(mg/L-days)"
'Zero Order, days, L, g/L

'Reactor 1
ConstkComboBox.Text = "(g/L-days)"
'Reactor 2
ConstkR2ComboBox.Text = "(g/L-days)"
'Zero Order, days, m3, g/m3

'Reactor 1
FlowRateComboBox.Text = "(m3/days)"
ConstkComboBox.Text = "(g/m3-days)"
'Reactor 2
FlowRateR2ComboBox.Text = "(m3/days)"
ConstkR2ComboBox.Text = "(g/m3-days)"
'Zero Order, days, m3, mg/m3

'Reactor 1
ConstkComboBox.Text = "(mg/m3-days)"
'Reactor 2
85
ConstkR2ComboBox.Text = "(mg/m3-days)"
End If
End Sub
#End Region
#Region "Call ChangeUnit_SimulationTime"

Private Sub ChangeUnit_SimulationTime()
If SimulationTimeComboBox.Text = "(mins)" Then
StepTimeComboBox.Text = "(mins)"
'Reactor 2
ElseIf SimulationTimeComboBox.Text = "(hours)" Then

StepTimeComboBox.Text = "(hours)"
'Reactor 2
ElseIf SimulationTimeComboBox.Text = "(days)" Then

StepTimeComboBox.Text = "(days)"
'Reactor 2
End If
End Sub
#End Region
#Region "Call ChangeUnit_ReactantConc"

Private Sub ChangeUnit_ReactantConc()
If ReactantConcComboBox.Text = "(mg/L)" Then
ProductConcComboBox.Text = "(mg/L)"
ElseIf ReactantConcComboBox.Text = "(g/L)" Then
ProductConcComboBox.Text = "(g/L)"
ElseIf ReactantConcComboBox.Text = "(mg/m3)" Then
ProductConcComboBox.Text = "(mg/m3)"
ElseIf ReactantConcComboBox.Text = "(g/m3)" Then
ProductConcComboBox.Text = "(g/m3)"
End If
End Sub
#End Region
#Region "Call ChangeUnit_ReactantConc_SaveVolume"

Private Sub ChangeUnit_ReactantConc_SaveVolume()
If ReactantConcComboBox.Text = "(mg/L)" _
OrElse ReactantConcComboBox.Text = "(g/L)" Then
VolumeComboBox.Text = "(L)"
VolumeR2ComboBox.Text = "(L)"
ElseIf ReactantConcComboBox.Text = "(mg/m3)" _

OrElse ReactantConcComboBox.Text = "(g/m3)" Then
VolumeComboBox.Text = "(m3)"
VolumeR2ComboBox.Text = "(m3)"
End If
End Sub
#End Region
#Region "Call ChangeUnit_SimulationTimeR2_Volume_ReactantConc"

Private Sub ChangeUnit_SimulationTimeR2_Volume_ReactantConc()
'Zero Order, mins, L, mg/L

If SimulationTimeR2ComboBox.Text = "(mins)" AndAlso _
'Reactor 1
SimulationTimeComboBox.Text = "(mins)"
ConstkComboBox.Text = "(mg/L-mins)"
'Reactor 2
ConstkR2ComboBox.Text = "(mg/L-mins)"
'Zero Order, mins, L, g/L

ElseIf SimulationTimeR2ComboBox.Text = "(mins)" AndAlso _
86
'Reactor 1
ConstkComboBox.Text = "(g/L-mins)"
'Reactor 2
ConstkR2ComboBox.Text = "(g/L-mins)"
'Zero Order, mins, m3, g/m3

'Reactor 1
ConstkComboBox.Text = "(g/m3-mins)"
'Reactor 2
ConstkR2ComboBox.Text = "(g/m3-mins)"
'Zero Order, mins, m3, mg/m3

'Reactor 1
ConstkComboBox.Text = "(mg/m3-mins)"
'Reactor 2
ConstkR2ComboBox.Text = "(mg/m3-mins)"
'Zero Order, hours, L, mg/L

ElseIf SimulationTimeR2ComboBox.Text = "(hours)" AndAlso _
'Reactor 1
SimulationTimeComboBox.Text = "(hours)"
ConstkComboBox.Text = "(mg/L-hours)"
'Reactor 2
ConstkR2ComboBox.Text = "(mg/L-hours)"
'Zero Order, hours, L, g/L

'Reactor 1
ConstkComboBox.Text = "(g/L-hours)"
'Reactor 2
ConstkR2ComboBox.Text = "(g/L-hours)"
'Zero Order, hours, m3, g/m3

'Reactor 1
87
ConstkComboBox.Text = "(g/m3-hours)"
'Reactor 2
ConstkR2ComboBox.Text = "(g/m3-hours)"
'Zero Order, hours, m3, mg/m3

'Reactor 1
ConstkComboBox.Text = "(mg/m3-hours)"
'Reactor 2
ConstkR2ComboBox.Text = "(mg/m3-hours)"
'Zero Order, days, L, mg/L

ElseIf SimulationTimeR2ComboBox.Text = "(days)" AndAlso _
'Reactor 1
SimulationTimeComboBox.Text = "(days)"
ConstkComboBox.Text = "(mg/L-days)"
'Reactor 2
ConstkR2ComboBox.Text = "(mg/L-days)"
'Zero Order, days, L, g/L

'Reactor 1
ConstkComboBox.Text = "(g/L-days)"
'Reactor 2
ConstkR2ComboBox.Text = "(g/L-days)"
'Zero Order, days, m3, g/m3

'Reactor 1
ConstkComboBox.Text = "(g/m3-days)"
'Reactor 2
ConstkR2ComboBox.Text = "(g/m3-days)"
'Zero Order, days, m3, mg/m3

'Reactor 1
88
ConstkComboBox.Text = "(mg/m3-days)"
'Reactor 2
ConstkR2ComboBox.Text = "(mg/m3-days)"
End If
End Sub
#End Region
#Region "Call ChangeUnit_SimulationTimeR2"

Private Sub ChangeUnit_SimulationTimeR2()
If SimulationTimeR2ComboBox.Text = "(mins)" Then
StepTimeComboBox.Text = "(mins)"
'Reactor 2
ElseIf SimulationTimeR2ComboBox.Text = "(hours)" Then

StepTimeComboBox.Text = "(hours)"
'Reactor 2
ElseIf SimulationTimeR2ComboBox.Text = "(days)" Then

StepTimeComboBox.Text = "(days)"
'Reactor 2
End If
End Sub
#End Region
#End Region
#Region "Call ChemClearForm"

Private Sub ChemClearFrom()
'Reactor 1
ReactantConcComboBox.Text = ""
ProductConcComboBox.Text = ""
SimulationTimeComboBox.Text = ""
StepTimeComboBox.Text = ""
VolumeComboBox.Text = ""
FlowRateComboBox.Text = ""
DilutionRateComboBox.Text = ""
RetentionTimeComboBox.Text = ""
ConstkComboBox.Text = ""
'Reactor 2
SimulationTimeR2ComboBox.Text = ""
StepTimeR2ComboBox.Text = ""
VolumeR2ComboBox.Text = ""
FlowRateR2ComboBox.Text = ""
DilutionRateR2ComboBox.Text = ""
RetentionTimeR2ComboBox.Text = ""
ConstkR2ComboBox.Text = ""
End Sub
#End Region
#Region "Textbox accept only number"
#Region "Chem Reactor 1"
'ComboBox
Private Sub ChemReactor1ComboBox_KeyPress(ByVal sender As Object, ByVal e As System.Windows.Forms.KeyPressEventArgs) _
Handles ReactantConcComboBox.KeyPress, _
ProductConcComboBox.KeyPress, _
ReactionOrderTextBox.KeyPress, _
SimulationTimeComboBox.KeyPress, _
StepTimeComboBox.KeyPress, _
VolumeComboBox.KeyPress, _
FlowRateComboBox.KeyPress, _
RetentionTimeComboBox.KeyPress, _
DilutionRateComboBox.KeyPress, _
ConstkComboBox.KeyPress
e.Handled = True
End Sub
89
'Textbox
Private Sub ChemReactor1TextBox_KeyPress(ByVal sender As Object, ByVal e As System.Windows.Forms.KeyPressEventArgs) _
Handles ReactantConcTextBox.KeyPress, _
ProductConcTextBox.KeyPress, _
SimulationTimeTextBox.KeyPress, _
StepTimeTextBox.KeyPress, _
VolumeTextBox.KeyPress, _
FlowRateTextBox.KeyPress, _
RetentionTimeTextBox.KeyPress, _
DilutionRateTextBox.KeyPress, _
ConstkTextBox.KeyPress
If (e.KeyChar < "0" OrElse e.KeyChar > "9") _

AndAlso e.KeyChar <> ControlChars.Back _
AndAlso e.KeyChar <> "." Then
e.Handled = True
End If
End Sub
#End Region
#Region "Chem Reactor 2"
'ComboBox
Private Sub ChemReactor2ComboBox_KeyPress(ByVal sender As Object, ByVal e As System.Windows.Forms.KeyPressEventArgs) _
Handles ReactionOrderR2TextBox.KeyPress, _
SimulationTimeR2ComboBox.KeyPress, _
StepTimeR2ComboBox.KeyPress, _
VolumeR2ComboBox.KeyPress, _
FlowRateR2ComboBox.KeyPress, _
RetentionTimeR2ComboBox.KeyPress, _
DilutionRateR2ComboBox.KeyPress, _
ConstkR2ComboBox.KeyPress
e.Handled = True
End Sub
'Textbox
Private Sub ChemReactor2TextBox_KeyPress(ByVal sender As Object, ByVal e As System.Windows.Forms.KeyPressEventArgs) _
Handles SimulationTimeR2TextBox.KeyPress, _
StepTimeR2TextBox.KeyPress, _
VolumeR2TextBox.KeyPress, _
FlowRateR2TextBox.KeyPress, _
RetentionTimeR2TextBox.KeyPress, _
DilutionRateR2TextBox.KeyPress, _
ConstkR2TextBox.KeyPress
If (e.KeyChar < "0" OrElse e.KeyChar > "9") _

AndAlso e.KeyChar <> ControlChars.Back _
AndAlso e.KeyChar <> "." Then
e.Handled = True
End If
End Sub
#End Region
#End Region
#Region "Call HideAllGroup"

Private Sub HideAllGroup()
ReactionGroupBox.Hide()
ModelGroupBox.Hide()
Add2ndReactorCheckBox.Hide()
Reactor1GroupBox.Hide()
BatchSeriesPicturePanel.Hide()
CSTRPicturePanel.Hide()
CSTRSeriesPicturePanel.Hide()
ResultGroupBox.Hide()
GraphGroupBox.Hide()
TableGroupBox.Hide()
End Sub
#End Region
#Region "Call ShowPictureBox"

Private Sub ShowPictureBox()
90
'PictureBox
'Batch
If BatchRadioButton.Checked = True AndAlso _
Add2ndReactorCheckBox.Checked = False Then
OperationModeToolStripLabel.Text = "Batch"
BatchPicturePanel.Show()
ElseIf BatchRadioButton.Checked = True AndAlso _

Add2ndReactorCheckBox.Checked = True Then
OperationModeToolStripLabel.Text = "Batch MultiStage"
BatchSeriesPicturePanel.Show()
BatchSeriesPicturePanel.Location = New Point(ModelGroupBox.Location.X + _
ModelTableLayoutPanel.Location.X + _
BatchPicturePanel.Location.X, _
ModelGroupBox.Location.Y + _
ModelTableLayoutPanel.Location.Y + _
BatchPicturePanel.Location.Y)
BatchSeriesPicturePanel.Width = BatchPicturePanel.Width
BatchSeriesPicturePanel.Height = BatchPicturePanel.Height
BatchPicturePanel.Hide()
End If
'CSTR Transient State

If CSTRTransientStateRadioButton.Checked = True AndAlso _
OperationModeToolStripLabel.Text = "CSTR Transient State"
CSTRPicturePanel.Show()
CSTRPicturePanel.Location = New Point(ModelGroupBox.Location.X + _
CSTRPicturePanel.Width = BatchPicturePanel.Width
CSTRPicturePanel.Height = BatchPicturePanel.Height
ElseIf CSTRTransientStateRadioButton.Checked = True AndAlso _

OperationModeToolStripLabel.Text = "CSTR Transient State MultiStage"
CSTRSeriesPicturePanel.Show()
CSTRSeriesPicturePanel.Location = New Point(ModelGroupBox.Location.X + _
CSTRSeriesPicturePanel.Width = BatchPicturePanel.Width
CSTRSeriesPicturePanel.Height = BatchPicturePanel.Height
End If
'CSTR Steady State

If CSTRSteadyStateRadioButton.Checked = True AndAlso _
OperationModeToolStripLabel.Text = "CSTR Steady State"
ElseIf CSTRSteadyStateRadioButton.Checked = True AndAlso _
OperationModeToolStripLabel.Text = "CSTR Steady State MultiStage"
91
End If
End Sub
#End Region
#Region "Call ShowGroupBox"

Private Sub ShowGroupBox()
Call HideAllGroup()
Call ShowPictureBox()
ReactionGroupBox.Show()
ModelGroupBox.Show()
Add2ndReactorCheckBox.Show()
Reactor1GroupBox.Show()
If Add2ndReactorCheckBox.Checked = True Then

End If
End Sub
#End Region
#Region "Call ClearComboBox"

Private Sub ChemClearComboBox()
'Reactor 1
xTimeComboBox.Items.Clear()
y1ReactantConcR1ComboBox.Items.Clear()
y2ProductConcR1ComboBox.Items.Clear()
xTimeStepComboBox.Items.Clear()
y1ReactantConcR1StepComboBox.Items.Clear()
y2ProductConcR1StepComboBox.Items.Clear()
'Reactor 2
xTimeR2ComboBox.Items.Clear()
xTimeR2StepComboBox.Items.Clear()
End Sub
#End Region
#Region "Call EnableCommanButton"

Private Sub EnableCommanButton()
If ReactionGroupBox.Visible = True OrElse _

ModelGroupBox.Visible = True OrElse _
Reactor1GroupBox.Visible = True Then
GraphToolStripButton.Enabled = True
TableToolStripButton.Enabled = True
End If
If GraphGroupBox.Visible = True OrElse _

TableGroupBox.Visible = True Then
BackToolStripButton.Enabled = True
CalculateToolStripButton.Enabled = False
End If
End Sub
#End Region
#Region "Temp CheckBox"
Private Sub TempCorrectionCheckBox_Click(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles TempCorrectionCheckBox.Click
92
If TempCorrectionCheckBox.Checked = True Then
'Save value
ConstantKToolStripLabel.Text = ConstkTextBox.Text
ChemTempEffect.TempEffectToolStripLabel.Text = "Zero R1"

ChemTempEffect.ShowDialog()
ElseIf TempCorrectionCheckBox.Checked = False Then

ConstkTextBox.Text = ConstantKToolStripLabel.Text
End If
End Sub
Private Sub TempCorrectionR2CheckBox_Click(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles TempCorrectionR2CheckBox.Click
If TempCorrectionR2CheckBox.Checked = True Then
'Save value
ConstantKR2ToolStripLabel.Text = ConstkR2TextBox.Text
ChemTempEffect.TempEffectToolStripLabel.Text = "Zero R2"

ChemTempEffect.ShowDialog()
ElseIf TempCorrectionR2CheckBox.Checked = False Then

ConstkR2TextBox.Text = ConstantKR2ToolStripLabel.Text
End If
End Sub
#End Region
#Region "Constant K Textbox"

Private Sub ConstkTextBox_TextChanged(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles ConstkTextBox.TextChanged
ChemTempEffect.ConstKT2TextBox.Text = ConstkTextBox.Text
End Sub
Private Sub ConstkComboBox_TextChanged(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles ConstkComboBox.TextChanged
ChemTempEffect.ConstKLabel.Text = ConstkComboBox.Text
End Sub
Private Sub ConstkR2TextBox_TextChanged(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles ConstkR2TextBox.TextChanged
ChemTempEffect.ConstKT2TextBox.Text = ConstkR2TextBox.Text
End Sub
Private Sub ConstkR2ComboBox_TextChanged(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles ConstkR2ComboBox.TextChanged
ChemTempEffect.ConstKLabel.Text = ConstkR2ComboBox.Text
End Sub
#End Region
#Region "Chem Reactor 1 Code"
#Region "Call ChemReactor1_Load"

Private Sub ChemReactor1_Load()
'Simulation Time
SimulationTimeComboBox.Items.Add("(mins)")
SimulationTimeComboBox.Items.Add("(hours)")
SimulationTimeComboBox.Items.Add("(days)")
SimulationTimeComboBox.Text = SimulationTimeComboBox.Items(1).ToString
'Reactant Concentration
ReactantConcComboBox.Items.Add("(mg/L)")
ReactantConcComboBox.Items.Add("(mg/m3)")
ReactantConcComboBox.Items.Add("(g/L)")
ReactantConcComboBox.Items.Add("(g/m3)")
ReactantConcComboBox.Text = ReactantConcComboBox.Items(0).ToString
'Change Unit
Call ChangeUnit_ReactantConc()
Call ChangeUnit_ReactantConc_SaveVolume()
Call ChangeUnit_SimulationTime()
Call ChangeUnit_SimulationTime_Volume_ReactantConc()
''False enabled textbox

PhysicalParaGroupBox.Enabled = False
End Sub
#End Region
#Region "Click flow rate - Reactor 1"

Private Sub FlowRateRadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _
93
Handles FlowRateRadioButton.Click
'Clear
RetentionTimeTextBox.Clear()
DilutionRateTextBox.Clear()
Call FDtauRadioButton_Click()
End Sub
#End Region
#Region "Click retention time - Reactor 1"

Private Sub RetentionTimeRadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles RetentionTimeRadioButton.Click
'Clear
VolumeTextBox.Clear()
FlowRateTextBox.Clear()
End Sub
#End Region
#Region "Click dilution rate - Reactor 1"

Private Sub DilutionRateRadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles DilutionRateRadioButton.Click
'Clear
End Sub
#End Region
#Region "Change Unit of Simulation Time"
Private Sub ChemSimulationTimeComboBox_SelectedIndexChanged(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles SimulationTimeComboBox.SelectedIndexChanged
Call ChangeUnit_SimulationTime()
End Sub
#End Region
#Region "Change Unit of Volume Reactor 1"
Private Sub ChemVolumeComboBox_SelectedIndexChanged(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles VolumeComboBox.SelectedIndexChanged
End Sub
#End Region
#Region "Change Unit of Reactant Concentration"
Private Sub ChemReactantConcComboBox_SelectedIndexChanged(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles ReactantConcComboBox.SelectedIndexChanged
Call ChangeUnit_ReactantConc()
End Sub
#End Region
#Region "Operation Mode"
Private Sub BatchRadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles BatchRadioButton.Click
If BatchRadioButton.Checked = True Then
'Clear
94
VolumeR2TextBox.Clear()
FlowRateR2TextBox.Clear()
RetentionTimeR2TextBox.Clear()
DilutionRateR2TextBox.Clear()
'PictureBox
'Enable
Call BatchCSTRRadioButton_Click()
End If
End Sub
Private Sub CSTRTransientStateRadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles CSTRTransientStateRadioButton.Click
If CSTRTransientStateRadioButton.Checked = True Then
'Clear
'PictureBox
'Enable
End If
End Sub
Private Sub CSTRSteadyStateRadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles CSTRSteadyStateRadioButton.Click
'Clear
'PictureBox
'Enable
End Sub
#End Region
#Region "Add 2nd reactor"

Private Sub Add2ndReactorCheckBox_Click(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles Add2ndReactorCheckBox.Click
'Show
Call ShowGroupBox()
End Sub
#End Region
#End Region
#Region "Chem Reactor 2 Code"
#Region "Call ChemReactor2_Load"

Private Sub ChemReactor2_Load()
'Simulation Time
SimulationTimeR2ComboBox.Items.Add("(mins)")
SimulationTimeR2ComboBox.Items.Add("(hours)")
SimulationTimeR2ComboBox.Items.Add("(days)")
''False enabled textbox

PhysicalParaR2GroupBox.Enabled = False
End Sub
#End Region
95
#Region "Click - Chem Flow rate Reactor 2"
Private Sub ChemFlowRate2RadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles FlowRateR2RadioButton.Click
Call FDtauR2RadioButton_Click()
End Sub
#End Region
#Region "Click- Chem Retention time Reactor 2"

Private Sub ChemRetentionTime2RadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles RetentionTimeR2RadioButton.Click
End Sub
#End Region
#Region "Click- Chem Dilution rate Reactor 2"

Private Sub ChemDilutionRate2RadioButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles DilutionRateR2RadioButton.Click
End Sub
#End Region
#Region "Change Unit of Simulation Time"
Private Sub SimulationTimeR2ComboBox_SelectedIndexChanged(ByVal sender As Object, ByVal e As System.EventArgs) _

Handles SimulationTimeR2ComboBox.SelectedIndexChanged
Call ChangeUnit_SimulationTimeR2()
Call ChangeUnit_SimulationTimeR2_Volume_ReactantConc()
End Sub
#End Region
#End Region
#Region "Declare variables for Chem Kinetics"

Private temp As Decimal
Private AbsTemp As Decimal
'ChemReactor1
Private R1ReactantConc As String
Private R1ProductConc As String
Private R1SimulationTime As String
Private R1TimeInterval As String
Private R1Volume As String

Private R1FlowRate As String
Private R1RetentionTime As String
Private R1DilutionRate As String
Private R1ConstantK As String
Private R1C0 As Double

Private R1Cti As Double
Private R1P0 As Double
Private R1Pti As Double
Private R1Time As Decimal
Private R1deltaT As Decimal = 0.1
Private R1deltaI As Decimal
Private R1V As Double

Private R1F As Double
Private R1tau As Double
Private R1D As Double
Private R1ConstK As Decimal
'ChemReactor2

96


'Graph
'Reactor 1
Private numItm As Integer
Private xAdd As Double
Private y1Add As Double

'Reactor 2
Private numItmR2 As Integer
Private xAddR2 As Double
Private y1AddR2 As Double

'Calculation
'Reactor 1
Private R1CAs_Zero As Double
Private R1CtiTemp As Double

Private R1PtiTemp As Double
Private R1CtiSteady As Double

Private R1PtiSteady As Double
Private R1CtiTempSteady As Double
Private R1PtiTempSteady As Double
Private R1SteadyTime As Integer
Private R1SteadyTimeRun As Integer
Private R1ReachSteadyConc As Double
'Reactor 2
Private R2CAs_Zero As Double


#End Region
#Region "Call ReadChemReactor1Data"

Private Sub ReadChemReactor1Data()
R1ReactantConc = ReactantConcTextBox.Text
R1ProductConc = ProductConcTextBox.Text
R1SimulationTime = SimulationTimeTextBox.Text
R1TimeInterval = StepTimeTextBox.Text
R1Volume = VolumeTextBox.Text
R1FlowRate = FlowRateTextBox.Text
R1RetentionTime = RetentionTimeTextBox.Text
R1DilutionRate = DilutionRateTextBox.Text
R1ConstantK = ConstkTextBox.Text
'Convert to Decimal
If R1ReactantConc = "" Then
R1C0 = 0
Else
R1C0 = CDec(R1ReactantConc)
End If
'Product concentration
If R1ProductConc = "" Then
R1P0 = 0
Else
R1P0 = CDec(R1ProductConc)
End If
97
'Simulation time
If R1SimulationTime = "" Then
R1Time = 0
Else
R1Time = CDec(R1SimulationTime)
End If
'Step time
If R1TimeInterval = "" Then
R1deltaI = 0.1
Else
R1deltaI = CDec(R1TimeInterval)
End If
'Volume
If R1Volume = "" Then
R1V = 0
Else
R1V = CDec(R1Volume)
End If
'Flow rate
If R1FlowRate = "" Then
R1F = 0
Else
R1F = CDec(R1FlowRate)
End If
'Retention time
If R1RetentionTime = "" Then
R1tau = 0
Else
R1tau = CDec(R1RetentionTime)
End If
'Dilution time
If R1DilutionRate = "" Then
R1D = 0
Else
R1D = CDec(R1DilutionRate)
End If
'Constant K
If R1ConstantK = "" Then
R1ConstK = 0
Else
R1ConstK = CDec(R1ConstantK)
End If
End Sub
#End Region

R2SimulationTime = SimulationTimeR2TextBox.Text
R2TimeInterval = StepTimeR2TextBox.Text
R2Volume = VolumeR2TextBox.Text
R2FlowRate = FlowRateR2TextBox.Text
R2RetentionTime = RetentionTimeR2TextBox.Text
R2DilutionRate = DilutionRateR2TextBox.Text
R2ConstantK = ConstkR2TextBox.Text
'Convert to Decimal
'Simulation time
R2Time = 0
Else
End If
'Step time
R2deltaI = 0.1
Else
End If
'Volume
R1V = 0
Else
End If
'Flow rate
R2F = 0
Else
98
End If
'Retention time
R2tau = 0
Else
End If
'Dilution time
R2D = 0
Else
End If
'Constant K
R2ConstK = 0
Else
End If
End Sub
#End Region
#Region "Call ChemFDtauCalculation"
Private Sub ChemFDtauCalculation_Reactor1()

Call ReadChemReactor1Data()
If VolumeTextBox.Text <> "" AndAlso FlowRateTextBox.Text <> "" Then

R1tau = R1V / R1F
ElseIf DilutionRateTextBox.Text <> "" Then
R1tau = 1 / R1D
ElseIf RetentionTimeTextBox.Text <> "" Then
R1tau = R1tau
End If
End Sub

If VolumeR2TextBox.Text <> "" AndAlso FlowRateR2TextBox.Text <> "" Then

R2tau = R2V / R2F
ElseIf DilutionRateR2TextBox.Text <> "" Then
R2tau = 1 / R2D
ElseIf RetentionTimeR2TextBox.Text <> "" Then
R2tau = R2tau
End If
End Sub
#End Region
#Region "FindSteadyTime_Reactor1"
Private Sub FindSteadyTime_Reactor1()
'Calculate steady state concentration

R1CAs_Zero = R1C0 - (R1ConstK * R1tau)
'Find steady state time

For j = 0 To 10000 Step R1deltaT
If j = 0 Then
R1CtiTempSteady = R1C0
R1PtiTempSteady = R1P0
ElseIf j > 0 Then
R1CtiSteady = R1CtiTempSteady + ((R1C0 - R1CtiTempSteady) * (1 / R1tau) - R1ConstK) * R1deltaT

R1PtiSteady = R1PtiTempSteady + ((R1P0 - R1PtiTempSteady) * (1 / R1tau) + R1ConstK) * R1deltaT
'Simulation reach the steady state

If Math.Round((R1CAs_Zero / R1CtiTempSteady) * 100, 4) >= 99.9992 Then
R1SteadyTime = j
'Exit
Exit For
End If
If R1CtiSteady > 0 Then

R1CtiTempSteady = R1CtiSteady
Else
R1CtiTempSteady = 0
End If
If R1PtiSteady > 0 Then
99
R1PtiTempSteady = R1PtiSteady
Else
R1PtiTempSteady = 0
End If
End If
Next 'Calculate circle for Steady state
MessageBox.Show("Steady state concentration of Reactor 1 is " & _

Math.Round(R1CAs_Zero, 4) & " " & ReactantConcComboBox.Text & ControlChars.NewLine & _
"and achieved at t = " & R1SteadyTime & " " & SimulationTimeComboBox.Text, _
"Messages", _
MessageBoxButtons.OK, _
MessageBoxIcon.Information)
End Sub
#End Region

R2CAs_Zero = R2C0 - (R2ConstK * R2tau)

For j2 = 0 To 10000 Step R2deltaT
If j2 = 0 Then
ElseIf j2 > 0 Then
R2CtiSteady = R2CtiTempSteady + ((R2C0 - R2CtiTempSteady) * (1 / R2tau) - R2ConstK) * R2deltaT

R2PtiSteady = R2PtiTempSteady + ((R2P0 - R2PtiTempSteady) * (1 / R2tau) + R2ConstK) * R2deltaT

If Math.Round((R2CAs_Zero / R2CtiTempSteady) * 100, 4) >= 99.9992 Then
R2SteadyTime = j2
'Exit
Exit For
End If

Else
R2CtiTempSteady = 0
End If

Else
R2PtiTempSteady = 0
End If
End If

Math.Round(R2CAs_Zero, 4) & " " & ReactantConcComboBox.Text & ControlChars.NewLine & _
"Messages", _
End Sub
#End Region
#Region "Calculate Chem Kinetics"

Private Sub CalculateToolStripButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles CalculateToolStripButton.Click
'///Start Progress
_MainForm.ToolstripprogressBar.Value = 40
_MainForm.ProgressTimer.Enabled = True
''Check if there's sufficient data

'\\\\\\\\\\\\\\ For 1 reactor
If Add2ndReactorCheckBox.Checked = False Then
'Reactant
If ReactantConcTextBox.Text = "" Then
ReactantConcTextBox.Focus()
MessageBox.Show("Reactant Concentration is required!", _
"Message", _
'///Cancel Progress
100
_MainForm.ToolstripprogressBar.Value = _MainForm.ToolstripprogressBar.Minimum
_MainForm.ProgressTimer.Enabled = False
Exit Sub
End If
'Simulation Time
If BatchRadioButton.Checked = True OrElse _
CSTRTransientStateRadioButton.Checked = True Then
If SimulationTimeTextBox.Text = "" Then
SimulationTimeTextBox.Focus()
MessageBox.Show("Simulation Time is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
If CSTRSteadyStateRadioButton.Checked = True OrElse _

'Flow rate
If FlowRateRadioButton.Checked = True Then
'Volume
If VolumeTextBox.Text = "" Then
VolumeTextBox.Focus()
MessageBox.Show("Reactor Volume is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
If FlowRateTextBox.Text = "" Then
FlowRateTextBox.Focus()
MessageBox.Show("Flow Rate is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
If DilutionRateRadioButton.Checked = True Then
If DilutionRateTextBox.Text = "" Then
DilutionRateTextBox.Focus()
MessageBox.Show("Dilution Rate is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
If RetentionTimeRadioButton.Checked = True Then
If RetentionTimeTextBox.Text = "" Then
RetentionTimeTextBox.Focus()
MessageBox.Show("Retention Time is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
If ConstkTextBox.Text = "" Then
ConstkTextBox.Focus()
MessageBox.Show("Constant k is required!", _
"Message", _
'///Cancel Progress
101
Exit Sub
End If
End If '1 Reactor
''\\\\\\\\\\\\\\\\\\\\\\\\\\\\\ For 2 reactors

'***************************************************************Reactor 1
'Reactant
"Message", _
'///Cancel Progress
Exit Sub
End If
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
If CSTRTransientStateRadioButton.Checked = True OrElse _

CSTRSteadyStateRadioButton.Checked = True Then
'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
102
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
"Message", _
'///Cancel Progress
Exit Sub
End If
'*************************************************************Reactor 2
'Simulation Time
If SimulationTimeR2TextBox.Text = "" Then
SimulationTimeR2TextBox.Focus()
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
If FlowRateR2RadioButton.Checked = True Then
'Volume
If VolumeR2TextBox.Text = "" Then
VolumeR2TextBox.Focus()
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
If FlowRateR2TextBox.Text = "" Then
FlowRateR2TextBox.Focus()
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
If DilutionRateR2RadioButton.Checked = True Then
If DilutionRateR2TextBox.Text = "" Then
DilutionRateR2TextBox.Focus()
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
If RetentionTimeR2RadioButton.Checked = True Then
If RetentionTimeR2TextBox.Text = "" Then
RetentionTimeR2TextBox.Focus()
103
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
If ConstkR2TextBox.Text = "" Then
ConstkR2TextBox.Focus()
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '2 Reactors
'\\\\\\\\\\\\Name cannot be empty

If ReactantNameComboBox.Text = "" Then
ReactantNameComboBox.Focus()
MessageBox.Show("Reactant Name is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
If ProductNameComboBox.Text = "" Then

ProductNameComboBox.Focus()
MessageBox.Show("Product Name is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
'Clear Result ComboBox

ChemKineticsPanel.AutoScroll = False
Call ChemClearComboBox()
''*****************************************************************Calculate
'Show Table
Call HideAllGroup()
TableGroupBox.Show()
TableGroupBox.Dock = DockStyle.Fill
'Batch
ChemTableSplitContainer.Panel2Collapsed = True
Call BatchZeroOrder_Reactor1()
ElseIf Add2ndReactorCheckBox.Checked = True Then

ChemTableSplitContainer.Panel2Collapsed = False
Call BatchZeroOrder_2Reactor()
End If
End If

Call ChemFDtauCalculation_Reactor1()
Call CSTRTransientZeroOrder_Reactor1()
104
Call CSTRTransientZeroOrder_2Reactor()
End If
End If
'CSTR Steady State

If CSTRSteadyStateRadioButton.Checked = True Then
Call CSTRSteadyZeroOrder_Reactor1()

Call CSTRSteadyZeroOrder_2Reactor()
End If
End If
'///Done Progress
_MainForm.ToolstripprogressBar.Value = _MainForm.ToolstripprogressBar.Maximum
'Button
Call EnableCommanButton()
End Sub
#End Region
105
APPENDIX D
VB CODE FOR FIRST-ORDER CHEMICAL REACTION
#Region "Load Event"
Private Sub FirstOrder_Load(ByVal sender As Object, ByVal e As System.EventArgs) Handles Me.Load

'CAPS-NUM
CheckLockKeys()
'BackColor
ChemKineticsPanel.Dock = DockStyle.Fill
'Reactant Name
'Product Name
'Button
'Enable
'Show GroupBox
Call ShowGroupBox()
End Sub
#End Region

'PictureBox
'Batch

End If

106

End If
'CSTR Steady State

OperationModeToolStripLabel.Text = "CSTR Steady State MultiStage"
End If
End Sub
#End Region

Call HideAllGroup()

End If
End Sub
107
#End Region

'Reactor 1
'Reactor 2
End Sub
#End Region
#Region "EnableCommanButton"

End If

End If
End Sub
#End Region
'ChemReactor1
Private R1Timeinterval As String



'ChemReactor2
108


'Graph
'Reactor 1

'Reactor 2

'Calculation
'Reactor 1
Private R1CAs_First As Double


'Reactor 2
Private R2CAs_First As Double


#End Region
#Region "Call ReadReactor1Data"

Private Sub ReadReactor1Data()
R1Timeinterval = StepTimeTextBox.Text
'Convert to Decimal
R1C0 = 0
Else
End If
R1P0 = 0
Else
109
End If
'Simulation time
R1Time = 0
Else
End If
'Step time
If R1Timeinterval = "" Then
R1deltaI = 0.1
Else
R1deltaI = CDec(R1Timeinterval)
End If
'Volume
R1V = 0
Else
End If
'Flow rate
R1F = 1
Else
End If
'Retention time
R1tau = 0
Else
End If
'Dilution time
R1D = 0
Else
End If
'Constant K
R1ConstK = 0
Else
End If
End Sub
#End Region
#Region "Call ReadReactor2Data"

Private Sub ReadReactor2Data()
'Convert to Decimal
'Simulation time
R2Time = 0
Else
End If
'Step time
R2deltaI = 0.1
Else
End If
'Volume
R1V = 0
Else
End If
'Flow rate
R2F = 1
Else
110
End If
'Retention time
R2tau = 1
Else
End If
'Dilution time
R2D = 1
Else
End If
'Constant K
R2ConstK = 0
Else
End If
End Sub
#End Region

Call ReadReactor1Data()

R1tau = R1V / R1F
R1tau = 1 / R1D
R1tau = R1tau
End If
End Sub


R2tau = R2V / R2F
R2tau = 1 / R2D
R2tau = R2tau
End If
End Sub
#End Region

R1CAs_First = R1C0 / (1 + (R1ConstK * R1tau))

If j = 0 Then
ElseIf j > 0 Then
R1CtiSteady = R1CtiTempSteady + ((R1C0 - R1CtiTempSteady) * (1 / R1tau) - R1ConstK * R1CtiTempSteady) * R1deltaT

R1PtiSteady = R1PtiTempSteady + ((R1P0 - R1PtiTempSteady) * (1 / R1tau) + R1ConstK * R1CtiTempSteady) * R1deltaT

If Math.Round((R1CAs_First / R1CtiTempSteady) * 100, 4) >= 99.9992 Then
R1SteadyTime = j
'Exit
Exit For
End If

Else
R1CtiTempSteady = 0
End If

111
Else
R1PtiTempSteady = 0
End If
End If

Math.Round(R1CAs_First, 4) & " " & ReactantConcComboBox.Text & ControlChars.NewLine & _
"Messages", _
End Sub
#End Region

R2CAs_First = R2C0 / (1 + (R2ConstK * R2tau))

If j2 = 0 Then
ElseIf j2 > 0 Then
R2CtiSteady = R2CtiTempSteady + ((R2C0 - R2CtiTempSteady) * (1 / R2tau) - R2ConstK * R2CtiTempSteady) * R2deltaT

R2PtiSteady = R2PtiTempSteady + ((R2P0 - R2PtiTempSteady) * (1 / R2tau) + R2ConstK * R2CtiTempSteady) * R2deltaT

If Math.Round((R2CAs_First / R2CtiTempSteady) * 100, 4) >= 99.9992 Then
R2SteadyTime = j2
'Exit
Exit For
End If

Else
R2CtiTempSteady = 0
End If

Else
R2PtiTempSteady = 0
End If
End If

Math.Round(R2CAs_First, 4) & " " & ReactantConcComboBox.Text & ControlChars.NewLine & _
"Messages", _
End Sub
#End Region

Private Sub CalculateToolStripButton_Click(ByVal sender As Object, ByVal e As System.EventArgs) Handles
CalculateToolStripButton.Click
'///Start Progress

'\\\\\\\\\\\\\\ For 1 reactor
'Reactant
"Message", _
'///Cancel Progress
112
Exit Sub
End If
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
"Message", _
'///Cancel Progress
113
Exit Sub
End If
End If '1 Reactor
''\\\\\\\\\\\\\\\\\\\\\\\\\\\\\ For 2 reactors

'***************************************************************Reactor 1
'Reactant
"Message", _
'///Cancel Progress
Exit Sub
End If
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
114
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
"Message", _
'///Cancel Progress
Exit Sub
End If
'*************************************************************Reactor 2
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
115
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '2 Reactors

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

''******************************************************************Calculation
'Show Table
Call HideAllGroup()
'Batch
Call BatchFirstOrder_Reactor1()

Call BatchFirstOrder_2Reactor()
End If
End If

Call CSTRTransientFirstOrder_Reactor1()
116
Call CSTRTransientFirstOrder_2Reactor()
End If
End If
'CSTR Steady State

Call CSTRSteadyFirstOrder_Reactor1()
Call CSTRSteadyFirstOrder_2Reactor()
End If
End If
'///Done Progress
'Button
End Sub
#End Region
117
APPENDIX E
VB CODE FOR SECOND-ORDER CHEMICAL REACTION

Private Sub SecondOrder_Load(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles Me.Load
'CAPS-NUM
CheckLockKeys()
'BackColor
''Reaction Order
'Reactant Name
'Product Name
'Button
'Operation Parameters
'Enable Button
'Show GroupBox
Call ShowGroupBox()
End Sub
#End Region

'PictureBox
'Batch

End If

118

End If
'CSTR Steady State

OperationModeToolStripLabel.Text = "CSTR steady State MultiStage"
End If
End Sub
#End Region

Call HideAllGroup()

End If
End Sub
119
#End Region

'Reactor 1
'Reactor 2
End Sub
#End Region
#Region "Call EnableCommanButton"


End If

End If
End Sub
#End Region
'ChemReactor1

Private R1C0 As Single

Private R1P0 As Single
Private R1V As Decimal

Private R1F As Decimal
Private R1tau As Decimal
Private R1D As Decimal
'ChemReactor2

120

Private R2V As Decimal

Private R2F As Decimal
Private R2tau As Decimal
Private R2D As Decimal
'Graph
'Reactor 1

'Reactor 2

'Calculation
'Reactor 1
Private R1CAs_Second As Double


'Reactor 2
Private R2CAs_Second As Double


#End Region

R1TimeInterval = StepTimeTextBox.Text
'Convert to Decimal
R1C0 = 0
Else
End If
R1P0 = 0
Else
End If
121
'Simulation time
R1Time = 0
Else
End If
'Step time
R1deltaI = 0.1
Else
End If
'Volume
R1V = 0
Else
End If
'Flow rate
R1F = 1
Else
End If
'Retention time
R1tau = 0
Else
End If
'Dilution time
R1D = 0
Else
End If
'Constant K
R1ConstK = 0
Else
End If
End Sub
#End Region

'Convert to Decimal
'Simulation time
R2Time = 0
Else
End If
'Step time
R2deltaI = 0.1
Else
End If
'Volume
R1V = 0
Else
End If
'Flow rate
R2F = 1
Else
122
End If
'Retention time
R2tau = 1
Else
End If
'Dilution time
R2D = 1
Else
End If
'Constant K
R2ConstK = 0
Else
End If
End Sub
#End Region


R1tau = R1V / R1F
R1tau = 1 / R1D
R1tau = R1tau
End If
End Sub


R2tau = R2V / R2F
R2tau = 1 / R2D
R2tau = R2tau
End If
End Sub
#End Region
Dim squareRoot As Double

squareRoot = Math.Sqrt(1 + (4 * R1ConstK * R1tau * R1C0))
R1CAs_Second = (squareRoot - 1) / (2 * R1ConstK * R1tau)

If j = 0 Then
ElseIf j > 0 Then
R1CtiSteady = R1CtiTempSteady + ((R1C0 - R1CtiTempSteady) * (1 / R1tau) - R1ConstK * R1CtiTempSteady ^ 2) *

R1deltaT
R1PtiSteady = R1PtiTempSteady + ((R1P0 - R1PtiTempSteady) * (1 / R1tau) + R1ConstK * R1CtiTempSteady ^ 2) *
R1deltaT

If Math.Round((R1CAs_Second / R1CtiTempSteady) * 100, 4) >= 99.9992 Then
R1SteadyTime = j
'Exit
Exit For
End If

Else
R1CtiTempSteady = 0
End If
123
Else
R1PtiTempSteady = 0
End If
End If

Math.Round(R1CAs_Second, 4) & " " & ReactantConcComboBox.Text & ControlChars.NewLine & _
"Messages", _
End Sub
#End Region
Dim squareRoot As Double

squareRoot = Math.Sqrt(1 + (4 * R2ConstK * R2tau * R2C0))
R2CAs_Second = (squareRoot - 1) / (2 * R2ConstK * R2tau)

If j2 = 0 Then
ElseIf j2 > 0 Then
R2CtiSteady = R2CtiTempSteady + ((R2C0 - R2CtiTempSteady) * (1 / R2tau) - R2ConstK * R2CtiTempSteady ^ 2) *

R2deltaT
R2PtiSteady = R2PtiTempSteady + ((R2P0 - R2PtiTempSteady) * (1 / R2tau) + R2ConstK * R2CtiTempSteady ^ 2) *
R2deltaT

If Math.Round((R2CAs_Second / R2CtiTempSteady) * 100, 4) >= 99.9992 Then
R2SteadyTime = j2
'Exit
Exit For
End If

Else
R2CtiTempSteady = 0
End If

Else
R2PtiTempSteady = 0
End If
End If

Math.Round(R2CAs_Second, 4) & " " & ReactantConcComboBox.Text & ControlChars.NewLine & _
"Messages", _
End Sub
#End Region

'///Start Progress

'\\\\\\\\\\\\\\ For 1 reactor
'Reactant
124
"Message", _
'///Cancel Progress
Exit Sub
End If
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
125
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '1 Reactor
''\\\\\\\\\\\\\\\\\\\\\\\\\\\\\ For 2 reactors

'***************************************************************Reactor 1
'Reactant
"Message", _
'///Cancel Progress
Exit Sub
End If
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
126
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
"Message", _
'///Cancel Progress
Exit Sub
End If
'*************************************************************Reactor 2
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution rate
"Message", _
'///Cancel Progress
Exit Sub
End If
127
End If
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'Constant k
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '2 Reactors

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
'Suitable value for Constant k

If Val(ReactantConcTextBox.Text) < Val(ReactantConcTextBox.Text) ^ 2 * Val(ConstkTextBox.Text) * 0.1 Then
MessageBox.Show("Chemical Constant k of" & " " & ConstkTextBox.Text & " " & ConstkComboBox.Text & " " & "is not
suitable" & " " & _
ControlChars.NewLine & "for given Reactant Concentration of" & " " & ReactantConcTextBox.Text & " " &
ReactantConcComboBox.Text _
& ControlChars.NewLine & _
"Please re-enter!", _
"Message", _
'///Cancel Progress
Exit Sub
End If

'****************************************************************Calculation
'Show Table
Call HideAllGroup()
'Batch
128
Call BatchSecondOrder_Reactor1()

Call BatchSecondOrder_2Reactor()
End If
End If

Call CSTRTransientSecondOrder_Reactor1()

Call CSTRTransientSecondOrder_2Reactor()
End If
End If
'CSTR Steady State

Call CSTRSteadySecondOrder_Reactor1()

Call CSTRSteadySecondOrder_2Reactor()
End If
End If
'///Done Progress
'Button
End Sub
#End Region
129
APPENDIX F
VB CODE FOR SINGLE LIMITING NUTRIENT

Private Sub SingleLimitingNutrient_Load(ByVal sender As Object, ByVal e As System.EventArgs) Handles MyBase.Load
'CAPS-NUM
CheckLockKeys()
'Panel
CSTRRecyclePicturePanel.BackColor = Color.White
CSTRAddPicturePanel.BackColor = Color.White
'Graph TabControl
Me.GraphReactor1TabPage.BackColor = Color.Gainsboro
Me.GraphReactor2TabPage.BackColor = Color.Gainsboro
'BioOperation
Call BioOperation_Load()
'Load or OpenFile
If NumberSubstrateToolStripLabel.Text = "" AndAlso _
NumberProductToolStripLabel.Text = "" Then
'For Load
'Substrate
NumberSubstrateComboBox.Items.Clear()
NumberSubstrateComboBox.Text = "1"
'Product
NumberProductComboBox.Items.Clear()
NumberProductComboBox.Items.Add("0")
NumberProductComboBox.Text = NumberProductComboBox.Items(0).ToString
ElseIf NumberSubstrateToolStripLabel.Text <> "" AndAlso _

NumberProductToolStripLabel.Text <> "" Then
'For Open File
'Substrate
NumberSubstrateComboBox.Text = NumberSubstrateToolStripLabel.Text
'Product
NumberProductComboBox.Text = NumberProductToolStripLabel.Text
End If
'Enable
'Show GroupBox
Call ShowGroupBox()
End Sub
#End Region

'Batch Picture
Add2ndBioReactorCheckBox.Checked = False Then
OperationModeLabel.Text = "Batch"
'BatchPictureGroupBox.Hide()
CSTRRecyclePicturePanel.Hide()
CSTRAddPicturePanel.Hide()

Add2ndBioReactorCheckBox.Checked = True Then
OperationModeLabel.Text = "Batch MultiStage"
130
'BatchSeriesPicturePanel.Hide()
End If
'CSTR Transient Picture

If CSTRTransientRadioButton.Checked = True AndAlso _
OperationModeLabel.Text = "CSTR Transient State"
'CSTRPicturePanel.Hide()
ElseIf CSTRSteadyRadioButton.Checked = True AndAlso _

OperationModeLabel.Text = "CSTR Steady State"
'CSTRPicturePanel.Hide()
ElseIf CSTRTransientRadioButton.Checked = True AndAlso _

OperationModeLabel.Text = "CSTR Transient State MultiStage"
'CSTRSeriesPicturePanel.Hide()
131
ElseIf CSTRSteadyRadioButton.Checked = True AndAlso _

OperationModeLabel.Text = "CSTR Steady State MultiStage"
'CSTRSeriesPicturePanel.Hide()
End If
'CSTR Recycle Picture

If CSTRRecycleRadioButton.Checked = True Then
OperationModeLabel.Text = "CSTR with Biomass Recycle"
CSTRRecyclePicturePanel.Show()
CSTRRecyclePicturePanel.Location = New Point(ModelGroupBox.Location.X + _
CSTRRecyclePicturePanel.Width = BatchPicturePanel.Width
CSTRRecyclePicturePanel.Height = BatchPicturePanel.Height
'CSTRRecyclePicturePanel.Hide()
End If
'CSTRAdd Picture
If CSTRAddRadioButton.Checked = True Then
OperationModeLabel.Text = "CSTR with Additional Feed Stream"
CSTRAddPicturePanel.Show()
CSTRAddPicturePanel.Location = New Point(ModelGroupBox.Location.X + _
CSTRAddPicturePanel.Width = BatchPicturePanel.Width
CSTRAddPicturePanel.Height = BatchPicturePanel.Height
'CSTRAddPicturePanel.Hide()
End If
End Sub
#End Region
#Region "Call ShowReactor"

Private Sub ShowReactor()
If Add2ndBioReactorCheckBox.Checked = True Then
132
ElseIf Add2ndBioReactorCheckBox.Checked = False Then
End If
End Sub
#End Region
#Region "Call EnableCommandButton"

Private Sub EnableCommandButton()
'Enable Calculate, Graph, Table

End If
If GraphTabControl.Visible = True OrElse _

TableTabControl.Visible = True Then
'Enable Return, Graph, Table
End If
End Sub
#End Region
#Region "Call ClearResultComboBox"

Private Sub ClearResultComboBox()
'Reactor1
y1SubstrateComboBox.Items.Clear()
y2BiomassComboBox.Items.Clear()
y3ProductComboBox.Items.Clear()
y5umaxComboBox.Items.Clear()
y6rSComboBox.Items.Clear()
y7rX1ComboBox.Items.Clear()
y8rPComboBox.Items.Clear()
y1SubStepComboBox.Items.Clear()
y2BiomassStepComboBox.Items.Clear()
y3ProStepComboBox.Items.Clear()
y5umaxStepComboBox.Items.Clear()
y6rSStepComboBox.Items.Clear()
y7rX1StepComboBox.Items.Clear()
y7rDStepComboBox.Items.Clear()
y8rPStepComboBox.Items.Clear()
'Reactor2
y1SubstrateR2ComboBox.Items.Clear()
y2BiomassR2ComboBox.Items.Clear()
y3ProductR2ComboBox.Items.Clear()
y5umaxR2ComboBox.Items.Clear()
y6rSR2ComboBox.Items.Clear()
y7rX1R2ComboBox.Items.Clear()
y8rPR2ComboBox.Items.Clear()
y1SubR2StepComboBox.Items.Clear()
y2BiomassR2StepComboBox.Items.Clear()
y3ProR2StepComboBox.Items.Clear()
y5umaxR2StepComboBox.Items.Clear()
y6rSR2StepComboBox.Items.Clear()
y7rX1R2StepComboBox.Items.Clear()
y7rDR2StepComboBox.Items.Clear()
y8rPR2StepComboBox.Items.Clear()
End Sub
#End Region
#Region "ShowReactor1_HideReactor2"
Private Sub ShowReactor1_HideReactor2()
SingleData.BioReactor1Panel.Show()
SingleData.BioReactor2Panel.Hide()
SingleData.SubmitToolStripButton.Visible = True
SingleData.CancelToolStripButton.Visible = True
133
SingleData.SubmitR2ToolStripButton.Visible = False
SingleData.CancelR2ToolStripButton.Visible = False
'Call KpgKpngRadioButton_Click()
'Size
SingleData.Width = 1100
'Name
SingleData.Text = "Enter Data for Bioreactor 1"
End Sub
#End Region
#Region "ShowReactor2_HideReactor1"
Private Sub ShowReactor2_HideReactor1()
SingleData.BioReactor1Panel.Hide()
SingleData.BioReactor2Panel.Show()
SingleData.BioReactor2Panel.Location = New Point(0, 0)
SingleData.SubmitToolStripButton.Visible = False
SingleData.CancelToolStripButton.Visible = False
SingleData.SubmitR2ToolStripButton.Visible = True
SingleData.CancelR2ToolStripButton.Visible = True
'Size
SingleData.Width = 700
'Name
SingleData.Text = "Enter Data for Bioreactor 2"
End Sub
#End Region
#Region "Declare variables"
'*********************************************Operation Parameters
Private SimulationTime As String = ""
Private tableInterval As String = ""
Private Volume As String = ""
Private FlowRate As String = ""
Private RetentionTime As String = ""
Private DilutionRate As String = ""
Private FlowRateRecycleRatio As String
Private BiomassRecycleRatio As String
Private Tt As Decimal
Private deltaT As Decimal = 0.1
Private deltaI As Decimal
Private V As Double
Private F As Double
Private tau As Double
Private D As Double
Private Fr_F As Double
Private Xr_X As Double
'***********************************************Operation Parameters R2
Private SimulationTimeR2 As String = ""
Private tableIntervalR2 As String = ""
Private VolumeR2 As String = ""
Private FlowRateR2 As String = ""
Private RetentionTimeR2 As String = ""
Private DilutionRateR2 As String = ""
Private FlowRateAdd As String
Private TtR2 As Decimal

Private deltaTR2 As Decimal = 0.1
Private deltaIR2 As Decimal
Private VR2 As Decimal
Private FR2 As Decimal
Private tauR2 As Decimal
Private DR2 As Decimal
Private FAdd As Decimal
'**************************************************Biomass Variables
Private biomassConc As String = ""
Private subYxs As String = ""
Private X0 As Double
Private Yxs As Double
Private rX As Double = 0
Private rX1 As Double = 0
Private rD As Double = 0
'***************************************************Biomass Variables R2
Private biomassConcR2 As String = ""
Private subR2Yxs As String = ""
Private X0_R2 As Decimal

Private YxsR2 As Decimal
Private rXR2 As Double = 0
134
Private rX1R2 As Double = 0
Private rDR2 As Double = 0
'*******************************************************Substrate 1 Variables
Private subConc As String = ""
Private Subumax As String

Private SubKd As String
Private SubKs As String
Private SubkLa As String

Private SubDOConc As String
Private SubSatDOConc As String
Private subLight As String

Private subOptLight As String
Private SubmS As String
'Calculation Variable
Private S0 As Double
Private DOR1 As Double
Private SatDOR1 As Double
Private I0 As Double
Private Iopt As Double
Private umax As Double
Private kd As Double
Private Ks As Double
Private kLa As Double

Private mS As Double
Private rS As Double = 0
Private rI As Double
Private rDO As Double
'***************************************************Substrate R2 Variables
'Input Variable
Private SubR2umax As String
Private SubR2Kd As String
Private SubR2Ks As String
Private SubR2kLa As String

Private SubR2DOConc As String
Private SubR2SatDOConc As String
Private SubR2mS As String
'Calculation Variable
Private S0_R2 As Double
Private DOR2 As Double
Private I0_R2 As Double
Private umaxR2 As Double
Private kdR2 As Double
Private KsR2 As Double
Private kLaR2 As Double

Private SatDOR2 As Double
Private mSR2 As Double
Private rSR2 As Double = 0

Private rDOR2 As Double
Private rIR2 As Double
'*******************************************************Product 1 Variables
Private ProConc As String = ""
Private ProYps As String = ""

Private ProInhibitionConst As String
Private ProKpg As String
Private ProKpng As String
Private PromP As String
Private ProPm As String
Private Pron As String
Private Proalpha As String
Private ProRefSubstrate As String = ""
Private P0 As Decimal
Private Yps As Decimal
Private kpg As Decimal
Private kpng As Decimal
Private mP As Decimal
Private rP As Double = 0
'***************************************************Product R2 Variables
Private ProR2Yps As String = ""

Private ProR2InhibitionConst As String
Private ProR2Kpg As String
Private ProR2Kpng As String
Private ProR2mP As String
Private ProR2Pm As String
Private ProR2n As String
Private ProR2alpha As String
135
Private ProR2RefSubstrate As String = ""
Private P0_R2 As Decimal

Private YpsR2 As Decimal
Private kpgR2 As Decimal
Private kpngR2 As Decimal
Private mPR2 As Decimal
Private rPR2 As Double = 0
'********************************************Variables For calculation

'R1
Private Xti As Double
Private Sti As Double
Private Iti As Double
Private Pti As Double
Private umaxCal As Double
Private StiTemp As Double

Private DOtiTemp As Double
Private ItiTemp As Double
Private XtiTemp As Double
Private PtiTemp As Double
Private Rpng As Double
Private Ss As Double
Private Xs As Double
Private R1SteadyTime As Double
Private R1SteadyTimeRun As Double
'R2
Private XtiR2 As Double
Private StiR2 As Double
Private DOtiR2 As Double
Private ItiR2 As Double
Private PtiR2 As Double
Private umaxCalR2 As Double
Private StiTempR2 As Double

Private DOtiTempR2 As Double
Private ItiTempR2 As Double
Private XtiTempR2 As Double
Private PtiTempR2 As Double
Private RpngR2 As Double
Private SsR2 As Double
Private XsR2 As Double
Private R2SteadyTime As Double
Private R2SteadyTimeRun As Double
Private RepX As Double

Private RepP As Double
Private RepS As Double
Private RepXR2 As Double

Private RepPR2 As Double
Private RepSR2 As Double
'****************************************************************************Graph
'Reactor 1
Private xTime As Double

Private y1Sub As Double
Private y2Biomass As Double
Private y3Product As Double
Private y5umax As Double
Private y6rS As Double

Private y7rX As Double
Private y7rX1 As Double
Private y7rD As Double
Private y8rP As Double
'Reactor 2
Private xTimeR2 As Double

Private y1SubR2 As Double
Private y2BiomassR2 As Double
Private y3ProductR2 As Double
Private y5umaxR2 As Double
Private y6rSR2 As Double

Private y7rXR2 As Double
Private y7rX1R2 As Double
Private y7rDR2 As Double
Private y8rPR2 As Double
#End Region
#Region "Read Operation, Substrate, Product Data"
#Region "Call ReadOperationData"
136
Private Sub ReadOperationData()
SimulationTime = SimulationTimeTextBox.Text
tableInterval = StepTimeTextBox.Text
Volume = VolumeTextBox.Text
FlowRate = FlowRateTextBox.Text
RetentionTime = RetentionTimeTextBox.Text
DilutionRate = DilutionRateTextBox.Text
biomassConc = SingleData.BiomassConcTextBox.Text
FlowRateRecycleRatio = RecycleRatioTextBox.Text
BiomassRecycleRatio = ConcFactorTextBox.Text
subYxs = SingleData.YxsTextBox.Text
'Convert to decimal
'Simulation Time
If SimulationTime = "" Then
Tt = 0
Else
Tt = CDec(SimulationTime)
End If
'Step time
If tableInterval = "" Then
deltaI = 0.1
Else
deltaI = CDec(tableInterval)
End If
'V
If Volume = "" Then
V = 0
Else
V = CDec(Volume)
End If
'F
If FlowRate = "" Then
F = 0
Else
F = CDec(FlowRate)
End If
'tau
If RetentionTime = "" Then
tau = 0
Else
tau = CDec(RetentionTime)
End If
'D
If DilutionRate = "" Then
D = 0
Else
D = CDec(DilutionRate)
End If
'Biomass Conc
If biomassConc = "" Then
X0 = 0
Else
X0 = CDec(biomassConc)
End If
'Recycle Ratio
If FlowRateRecycleRatio = "" Then
Fr_F = 0
Else
Fr_F = CDec(FlowRateRecycleRatio)
End If
'Conc Factor
If BiomassRecycleRatio = "" Then
Xr_X = 0
Else
Xr_X = CDec(BiomassRecycleRatio)
End If
'Sub1 biomass yield

If subYxs = "" Then
Yxs = 1
Else
Yxs = CDec(subYxs)
End If
End Sub
#End Region
#Region "Call ReadOperationDataR2"

Private Sub ReadOperationDataR2()
137
SimulationTimeR2 = SimulationTimeR2TextBox.Text
tableIntervalR2 = StepTimeR2TextBox.Text
VolumeR2 = VolumeR2TextBox.Text
FlowRate = FlowRateR2TextBox.Text
RetentionTimeR2 = RetentionTimeR2TextBox.Text
DilutionRateR2 = DilutionRateR2TextBox.Text
FlowRateAdd = FlowRateAddTextBox.Text
subR2Yxs = SingleData.YxsR2TextBox.Text
'Convert to decimal
'Simulation Time
If SimulationTimeR2 = "" Then
TtR2 = 0
Else
TtR2 = CDec(SimulationTimeR2)
End If
'Step time
If tableIntervalR2 = "" Then
deltaIR2 = 0.1
Else
deltaIR2 = CDec(tableIntervalR2)
End If
'V
If VolumeR2 = "" Then
VR2 = 0
Else
VR2 = CDec(VolumeR2)
End If
'F
If FlowRateR2 = "" Then
FR2 = 0
Else
FR2 = CDec(FlowRateR2)
End If
'tau
If RetentionTimeR2 = "" Then
tauR2 = 0
Else
tauR2 = CDec(RetentionTimeR2)
End If
'D
If DilutionRateR2 = "" Then
DR2 = 0
Else
DR2 = CDec(DilutionRateR2)
End If
'Flow rate
If FlowRateAdd = "" Then
FAdd = 0
Else
FAdd = CDec(FlowRateAdd)
End If
'Sub1 mass yield

If subR2Yxs = "" Then
YxsR2 = 1
Else
YxsR2 = CDec(subR2Yxs)
End If
End Sub
#End Region
#Region "Call ReadSub1Data"

Private Sub ReadSub1Data()
subConc = SingleData.SubConcTextBox.Text
Subumax = SingleData.umaxTextBox.Text
SubKd = SingleData.kdTextBox.Text
SubKs = SingleData.KsTextBox.Text
SubmS = SingleData.mSTextBox.Text
'Convert to Decimal
'Sub1 Conc
If subConc = "" Then
S0 = 0
Else
S0 = CDec(subConc)
End If
'DOR1
If SubDOConc = "" Then
DOR1 = 0
138
Else
DOR1 = CDec(SubDOConc)
End If
'SatDO1
If SubSatDOConc = "" Then
SatDOR1 = 0
Else
SatDOR1 = CDec(SubSatDOConc)
End If
'I
If subLight = "" Then
I0 = 0
Else
I0 = CDec(subLight)
End If
'OptI
If subOptLight = "" Then
Iopt = 0
Else
Iopt = CDec(subOptLight)
End If
'umax
If Subumax = "" Then
umax = 0
Else
umax = CDec(Subumax)
End If
'kd
If SubKd = "" Then
kd = 0
Else
kd = CDec(SubKd)
End If
'Ks
If SubKs = "" Then
Ks = 0
Else
Ks = CDec(SubKs)
End If
'mS
If SubmS = "" Then
mS = 0
Else
mS = CDec(SubmS)
End If
'kLa
If SubkLa = "" Then
kLa = 0
Else
kLa = CDec(SubkLa)
End If
End Sub
#End Region
#Region "Call ReadSubR2Data"

Private Sub ReadSubR2Data()
SubR2umax = SingleData.umaxR2TextBox.Text
SubR2Kd = SingleData.kdR2TextBox.Text
SubR2Ks = SingleData.KsR2TextBox.Text
SubR2mS = SingleData.mSR2TextBox.Text
'Convert to Decimal
'umax
If SubR2umax = "" Then
umaxR2 = 0
Else
umaxR2 = CDec(SubR2umax)
End If
'kd
If SubR2Kd = "" Then
kdR2 = 0
Else
kdR2 = CDec(SubR2Kd)
End If
'Ks
If SubR2Ks = "" Then
KsR2 = 0
139
Else
KsR2 = CDec(SubR2Ks)
End If
'mS
If SubR2mS = "" Then
mSR2 = 0
Else
mSR2 = CDec(SubR2mS)
End If
'kLa
If SubR2kLa = "" Then
kLaR2 = 0
Else
kLaR2 = CDec(SubR2kLa)
End If
'DOR2
If SubR2DOConc = "" Then
DOR2 = 0
Else
DOR2 = CDec(SubR2DOConc)
End If
'SatDOR2
If SubR2SatDOConc = "" Then
SatDOR2 = 0
Else
SatDOR2 = CDec(SubR2SatDOConc)
End If
End Sub
#End Region
#Region "Call ReadPro1Data"

Private Sub ReadPro1Data()
ProConc = SingleData.ProConcTextBox.Text
ProYps = SingleData.YpsTextBox.Text
ProKpg = SingleData.KpgTextBox.Text
ProKpng = SingleData.KpngTextBox.Text
PromP = SingleData.mPTextBox.Text
'Convert to decimal
'pro Conc
If ProConc = "" Then
P0 = 0
Else
P0 = CDec(ProConc)
End If
'pro Product Yield

If ProYps = "" Then
Yps = 1
Else
Yps = CDec(ProYps)
End If
'Kpg
If ProKpg = "" Then
kpg = 0
Else
kpg = CDec(ProKpg)
End If
'Kpng
If ProKpng = "" Then
kpng = 0
Else
kpng = CDec(ProKpng)
End If
'mP
If PromP = "" Then
mP = 0
Else
mP = CDec(PromP)
End If
End Sub
#End Region
#Region "Call ReadProR2Data"

Private Sub ReadProR2Data()
ProR2Yps = SingleData.YpsR2TextBox.Text
ProR2Kpg = SingleData.KpgR2TextBox.Text
ProR2Kpng = SingleData.KpngR2TextBox.Text
ProR2mP = SingleData.mPR2TextBox.Text
140
'Convert to decimal
'ProR2 Product Yield
If ProR2Yps = "" Then
YpsR2 = 1
Else
YpsR2 = CDec(ProR2Yps)
End If
'Kpg
If ProR2Kpg = "" Then
kpgR2 = 0
Else
kpgR2 = CDec(ProR2Kpg)
End If
'Kpng
If ProR2Kpng = "" Then
kpngR2 = 0
Else
kpngR2 = CDec(ProR2Kpng)
End If
'mP
If ProR2mP = "" Then
mPR2 = 0
Else
mPR2 = CDec(ProR2mP)
End If
End Sub
#End Region
#End Region
#Region "Call FDtauCalculation"

Private Sub FDtauCalculation()
D = F / V
D = D
D = 1 / tau
End If
End Sub
Private Sub FDtauCalculationR2()

DR2 = FR2 / VR2
DR2 = DR2
DR2 = 1 / tauR2
End If
End Sub
#End Region
#Region "Call ProNonGrowth"

Private Sub ProNonGrowth()
If SingleData.ProTypeToolStripLabel.Text = "Growth" OrElse _
SingleData.ProTypeToolStripLabel.Text = "Mix" OrElse _
SingleData.ProTypeToolStripLabel.Text = "" Then
Rpng = 0
RpngR2 = 0
ElseIf SingleData.ProTypeToolStripLabel.Text = "NonGrowth" Then
Rpng = kpng + mP
RpngR2 = kpngR2 + mPR2
End If
End Sub
#End Region
#Region "Call FindSteadyTime_Reactor1"

Dim deltaS As Double
Dim count As Integer
If CSTRSteadyRadioButton.Checked = True Then
Call SetInitialConcentration()
Call FDtauCalculation()
Call ProNonGrowth()

Ss = Ks * (D + kd) / (umax - (D + kd))
Xs = D * Yxs * Yps * (S0 - Ss) / (Yps * (D + kd) + Yxs * (kpg * (D + kd) + kpng) + mS * Yxs * Yps)
For j = 0 To 1000000 Step deltaT

'Calculate inlet feed stream
Call ReplaceFeedStreamCal()
'umaxCal
141
umaxCal = umax * (StiTemp / (Ks + StiTemp))
'Calculate Rate
rX = (umaxCal - kd) * XtiTemp
rP = (kpng * XtiTemp) + (kpg * umaxCal * XtiTemp) + (mP * XtiTemp)
rS = (umaxCal * XtiTemp / Yxs) + (Rpng * XtiTemp / Yps) + (mS * XtiTemp)
'Calculate Conc
Xti = XtiTemp + (rX * deltaT) + RepX
Pti = PtiTemp + (rP * deltaT) + RepP
Sti = StiTemp - (rS * deltaT) + RepS
deltaS = StiTemp - Sti

If Math.Round(deltaS, 3) = 0 Then
count = count + 1
End If

If Math.Round(Sti / Ss, 3) <= 0.9999 OrElse count > 99 Then
R1SteadyTime = j
'Exit
Exit For
End If
'Assign Value
XtiTemp = Xti
PtiTemp = Pti
If Sti > 0 Then

StiTemp = Sti
Else
StiTemp = 0
End If
Next
MessageBox.Show("Steady state concentration of Substrate of Reactor 1 is " & _

Math.Round(Ss, 4) & " " & SingleData.BiomassConcComboBox.Text & ControlChars.NewLine & _
"Messages", _
End If 'CSTR Steady State
End Sub
#End Region
#Region "Call FindSteadyTime_Reactor2"

Dim deltaSR2 As Double
Dim countR2 As Integer

Call FDtauCalculationR2()
Call ProNonGrowth()

SsR2 = KsR2 * (DR2 + kdR2) / (umaxR2 - (DR2 + kdR2))
For j = 0 To 1000000 Step deltaTR2

'Calculate inlet feed stream
Call ReplaceFeedStreamCalR2()
'umaxCalR2
umaxCalR2 = umaxR2 * (StiTempR2 / (KsR2 + StiTempR2))
'Calculate
rXR2 = (umaxCalR2 - kdR2) * XtiTempR2
rPR2 = (kpngR2 * XtiTempR2) + (kpgR2 * umaxCalR2 * XtiTempR2) + (mPR2 * XtiTempR2)
rSR2 = (umaxCalR2 * XtiTempR2 / YxsR2) + (mSR2 * XtiTempR2)
XtiR2 = XtiTempR2 + (rXR2 * deltaTR2) + RepXR2

PtiR2 = PtiTempR2 + (rPR2 * deltaT) + RepPR2
StiR2 = StiTempR2 - (rSR2 * deltaTR2) + RepSR2
deltaSR2 = StiTempR2 - StiR2

If Math.Round(deltaSR2, 3) = 0 Then
countR2 = countR2 + 1
End If

If Math.Round(StiR2 / SsR2, 3) <= 0.9999 OrElse countR2 > 99 Then
R1SteadyTime = j
'Exit
Exit For
End If
'Assign Value
142
XtiTempR2 = XtiR2
PtiTempR2 = PtiTempR2
If StiR2 > 0 Then

StiTempR2 = StiR2
Else
StiTempR2 = 0
End If
Next
MessageBox.Show("Steady state concentration of Substrate of Reactor 2 is " & _

Math.Round(SsR2, 4) & " " & SingleData.BiomassConcComboBox.Text & ControlChars.NewLine & _
"Messages", _
End If 'CSTR Steady State
End Sub
#End Region
#Region "Call SetInitialConcentration"

Private Sub SetInitialConcentration()
StiTemp = S0
XtiTemp = X0
PtiTemp = P0
ItiTemp = I0
End Sub
#End Region
#Region "Call ReplaceFeedStreamCal"

Private Sub ReplaceFeedStreamCal()
RepX = 0
RepP = 0
RepS = 0
ElseIf CSTRTransientRadioButton.Checked = True OrElse _

CSTRSteadyRadioButton.Checked = True Then
RepX = -XtiTemp * D * deltaT
RepP = (P0 - PtiTemp) * D * deltaT
RepS = (S0 - StiTemp) * D * deltaT
ElseIf CSTRRecycleRadioButton.Checked = True Then

RepX = XtiTemp * (Xr_X * Fr_F - (1 + Fr_F)) * D * deltaT
RepP = (P0 - PtiTemp) * D * deltaT
End If
End Sub
#End Region
#Region "Call ReplaceFeedStreamCalR2"

Private Sub ReplaceFeedStreamCalR2()
RepXR2 = 0
RepPR2 = 0
RepSR2 = 0
ElseIf CSTRTransientRadioButton.Checked = True OrElse _

CSTRSteadyRadioButton.Checked = True Then
RepXR2 = -XtiTempR2 * DR2 * deltaTR2
RepPR2 = (P0_R2 - PtiTempR2) * DR2 * deltaTR2
RepSR2 = (S0_R2 - StiTempR2) * DR2 * deltaTR2
ElseIf CSTRAddRadioButton.Checked = True Then

RepXR2 = -XtiTempR2 * (DR2 + (FAdd / VR2)) * deltaTR2
RepSR2 = (S0_R2 - StiTempR2) * (DR2 + (FAdd / VR2)) * deltaTR2
RepPR2 = (P0_R2 - PtiTempR2) * (DR2 + (FAdd / VR2)) * deltaTR2
End If
End Sub
#End Region
#Region "Call ReplaceRunTime"

Private Sub ReplaceRunTime()
Tt = R1SteadyTimeRun
TtR2 = R2SteadyTimeRun
Else
Tt = Tt
TtR2 = TtR2
End If
End Sub
#End Region
143
#Region "Calculation Button"
'///Start Progress
'Check if there's sufficient data

If Add2ndBioReactorCheckBox.Checked = False Then
'Simulation Time
CSTRTransientRadioButton.Checked = True OrElse _
CSTRRecycleRadioButton.Checked = True Then
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Recycle
If CSTRRecycleRadioButton.Checked = True Then
If RecycleRatioTextBox.Text = "" Then
RecycleRatioTextBox.Focus()
MessageBox.Show("Recycle Ratio is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
If ConcFactorTextBox.Text = "" Then

ConcFactorTextBox.Focus()
MessageBox.Show("Concentration factor is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
If CSTRSteadyRadioButton.Checked = True OrElse _

CSTRRecycleRadioButton.Checked = True Then
'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
MessageBox.Show("Flow rate is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution Rate
144
MessageBox.Show("Dilution rate is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'\\\\\\SingleData
'Biomass, SubConc, Yxs, umax, Ks
If SingleData.BiomassConcTextBox.Text = "" OrElse _
SingleData.SubConcTextBox.Text = "" OrElse _
SingleData.YxsTextBox.Text = "" OrElse _
SingleData.umaxTextBox.Text = "" OrElse _
SingleData.KsTextBox.Text = "" Then
MessageBox.Show("Data is required!", _
"Message", _
Call ShowReactor1_HideReactor2()
SingleData.ShowDialog()
'///Cancel Progress
Exit Sub
End If
'Kpg, Kpng
If NumberProductComboBox.Text = "1" Then
If SingleData.KpgTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If

If SingleData.KpngTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
ElseIf SingleData.ProTypeToolStripLabel.Text = "Mix" Then

If SingleData.KpgTextBox.Text = "" OrElse _
SingleData.KpngTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'Pro Type
145
'Product Yield
If SingleData.YpsTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If 'Pro Yield
End If '1 Pro
End If '1 reactor
If Add2ndBioReactorCheckBox.Checked = True Then
'******************************************************************Reactor 1
'Simulation Time
CSTRAddRadioButton.Checked = True Then
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution Rate
"Message", _
'///Cancel Progress
Exit Sub
End If
146
End If
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'\\\\\\SingleData
If SingleData.BiomassConcTextBox.Text = "" OrElse _
SingleData.SubConcTextBox.Text = "" OrElse _
SingleData.YxsTextBox.Text = "" OrElse _
SingleData.umaxTextBox.Text = "" OrElse _
SingleData.KsTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
'Kpg, Kpng
If SingleData.KpgTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If

If SingleData.KpngTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If

If SingleData.KpgTextBox.Text = "" OrElse _
SingleData.KpngTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'Pro Type
'Product Yield
If SingleData.YpsTextBox.Text = "" Then
"Message", _
147
'///Cancel Progress
Exit Sub
End If 'Pro Yield
End If '1 Pro
'***************************************************************Reactor 2
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution Rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Add flow rate

If CSTRAddRadioButton.Checked = True Then
If FlowRateAddTextBox.Text = "" Then
FlowRateAddTextBox.Focus()
148
MessageBox.Show("Additional flow rate is required!", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'\\\\\\SingleData
If SingleData.YxsR2TextBox.Text = "" OrElse _
SingleData.umaxR2TextBox.Text = "" OrElse _
SingleData.KsR2TextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
'Kpg, Kpng
If SingleData.KpgR2TextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If

If SingleData.KpngR2TextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If

'Kpg
If SingleData.KpgR2TextBox.Text = "" OrElse _
SingleData.KpngR2TextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'Pro Type
'Product Yield
If SingleData.YpsR2TextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If 'Pro Yield
End If '1 Pro
149
End If '2 reactor
'Show Table
Call HideAllGroup()
TableTabControl.Show()
TableTabControl.Dock = DockStyle.Fill
'AutScroll
Me.AutoScroll = False
'Clear ComboBox
Call ClearResultComboBox()
'Read Data
Call ReadOperationData()
Call ReadSub1Data()
Call ReadPro1Data()
Call ReadOperationDataR2()
Call ReadSubR2Data()
Call ReadProR2Data()
Call FDtauCalculation()
Call FDtauCalculationR2()
'Calculation
If Add2ndBioReactorCheckBox.Checked = False Then
Call Calculation_Reactor1()
ElseIf Add2ndBioReactorCheckBox.Checked = True Then
Call Calculation_2Reactor()
End If
'///Done Progress
'Button
Call EnableCommandButton()
End Sub
#End Region
150
APPENDIX G
VB CODE FOR MULTIPLE LIMITING NUTRIENTS

Private Sub _Parent_Load(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles Me.Load
'CAPS-NUM
CheckLockKeys()
'Panel
'AutoScroll
'BioOperation
'Load or OpenFile
NumberProductToolStripLabel.Text = "" Then
'For Load
'Substrate
NumberSubstrateComboBox.Items.Add("2")
NumberSubstrateComboBox.Text = NumberSubstrateComboBox.Items(0).ToString
'Product
NumberProductComboBox.Text = NumberProductComboBox.Items(0).ToString
Call NumberSubstrateChanged_Load()

NumberProductToolStripLabel.Text <> "" Then
'For Open File
'Substrate
'Product
NumberProductComboBox.Text = NumberProductToolStripLabel.Text
Call NumberSubstrateChanged_OpenFile()
End If
''Complementary
Dim items(2) As String
For i As Int32 = 0 To 2
items(i) = "Item " & i.ToString
Next
Me.CompSubComboBox.Items.AddRange(items)
Me.CompSubComboBox.DropDownStyle = ComboBoxStyle.DropDownList
Me.CompSubComboBox.DrawMode = DrawMode.OwnerDrawVariable
Me.CompSubComboBox.ItemHeight = Me.CompSubImageList.ImageSize.Height
Me.CompSubComboBox.Width = Me.CompSubImageList.ImageSize.Width + 20
Me.CompSubComboBox.MaxDropDownItems = Me.CompSubImageList.Images.Count
'Selected Index
If CompSubLabel.Text = "Competitive" OrElse _
CompSubLabel.Text = "" Then
CompSubComboBox.SelectedIndex = 0
SubSubNoteLabel.Hide()
MultipleSubData.Sub2fFactorLabel.Enabled = False
MultipleSubData.Sub2fFactorTextBox.Enabled = False
ElseIf CompSubLabel.Text = "Non-Competitive" Then

MultipleSubData.Sub2fFactorLabel.Enabled = False
MultipleSubData.Sub2fFactorTextBox.Enabled = False
ElseIf CompSubLabel.Text = "Substitutable Substrate" Then
151
SubSubNoteLabel.Show()
MultipleSubData.Sub2fFactorLabel.Enabled = True
MultipleSubData.Sub2fFactorTextBox.Enabled = True
End If
'Enable
'Show GroupBox
Call ShowGroupBox()
End Sub
#End Region

'Batch
OperationModeLabel.Text = "Batch"
End If
'CSTR
If CSTRRadioButton.Checked = True Then
OperationModeLabel.Text = "CSTR"
BatchPicturePanel.Location.X + _
ModelTableLayoutPanel.Location.X, _
End If
End Sub
#End Region
#Region "Call EnableCommandButton"

OperationParaGroupBox.Visible = True Then

End If

End If
End Sub
#End Region

Private Sub ClearResultComboBox()
y1Sub1ComboBox.Items.Clear()
y3Pro1ComboBox.Items.Clear()
152
y5umax1ComboBox.Items.Clear()
y5umax2ComboBox.Items.Clear()
y6rS1ComboBox.Items.Clear()
y8rP1ComboBox.Items.Clear()
'Step
y1Sub1StepComboBox.Items.Clear()
y3Pro1StepComboBox.Items.Clear()
y5umax1StepComboBox.Items.Clear()
y5umax2StepComboBox.Items.Clear()
y6rS1StepComboBox.Items.Clear()
y8rP1StepComboBox.Items.Clear()
End Sub
#End Region
'*********************************************Operation Parameters
Private TimeInterval As String = ""
Private alphaRecycle As Double
Private CFactor As Double
Private V As Double
Private Vti As Double
Private F As Double
Private D As Double
'**********************************************Biomass Variables
Private sub1BiomassYield As String = ""
Private Yxs1 As Double
Private rX1 As Double
Private rX2 As Double
Private rDecay As Double
'********************************************Substrate 1 Variables
Private sub1Conc As String = ""
Private sub1umax As String
Private sub1Kd As String
Private sub1Ks As String
Private sub1mS As String
153
Private sub1InhibitionType As String = ""
Private sub1EdwardConst As String
Private sub1OptSubstrate As String
Private KI1 As Double
Private KEd1 As Double
Private Sopt1 As Double
Private kd1 As Double
Private Ks1 As Double
Private kLa1 As Double

Private DO1 As Double
Private SatDO1 As Double
Private mS1 As Double
'***********************************************Substrate 2 Variables

Private sub2PreferSub As String
Private sub2factor_f As String
Private S0_2 As Decimal

Private KI2 As Decimal
Private KEd2 As Decimal
Private Sopt2 As Decimal
Private umax2 As Decimal
Private factor_f As Decimal
Private kd2 As Decimal
Private Ks2 As Decimal
Private kLa2 As Decimal

Private DO2 As Decimal
Private mS2 As Decimal
Private rS2 As Double = 0
'****************************************************Substrate 3 Variables



'************************************************************************Substrate 4 Variables


'************************************************************************Product 1 Variables
Private pro1Conc As String = ""
Private pro1ProductYield As String = ""
Private pro1Kpg As String
Private pro1Kpng As String
Private pro1mP As String
Private pro1RefSubstrate As String = ""
Private P0_1 As Decimal

Private Yp1s As Decimal
154
Private KpI1 As Decimal
Private Pm1 As Decimal
Private n1 As Decimal
Private alpha1 As Decimal
Private kpg1 As Decimal
Private kpng1 As Decimal
Private mP1 As Decimal
'*************************************************************************Product 2 Variables
Private pro2Pm As String
Private pro2n As String
Private pro2alpha As String

Private KpI2 As Decimal
Private Pm2 As Decimal
Private n2 As Decimal
Private alpha2 As Decimal
Private rP2 As Double = 0
'*****************************************Variables For calculation

Private Rf As Double
Private f_nonpref As Double
'1


Private RepS2 As Double

Private RepP2 As Double
'2
Private minValue As Double
Private umaxCal2 As Double
Private Sti2 As Double
Private StiTemp2 As Double
Private Pti2 As Double

Private PtiTemp2 As Double
'3
'4
'*******************************************************Calculation
Private RumaxCal As Double
Private RumaxCal2 As Double
Private RumaxCal_rX As Double

Private RumaxCal_rX1 As Double
Private RumaxCal_rX2 As Double
Private RumaxCal_rP1 As Double
Private RumaxCal_rP2 As Double
Private RumaxCal_rS1 As Double
Private Rpng_rS1 As Double

155
Private Yps1 As Double
'**********************************************************Graph

Private y1Sub1 As Double
Private y3Product1 As Double
Private y5umax1 As Double
Private y5umax2 As Double
Private y6rS1 As Double

Private y7rX As Double
Private y8rP1 As Double
#End Region
#Region "Call ReadDataFile"
#Region "ReadBioOperation File"

Private Sub ReadBioOperation()
TimeInterval = StepTimeTextBox.Text
biomassConc = MultipleSubData.BiomassConcTextBox.Text
sub1BiomassYield = MultipleSubData.Sub1Yxs1TextBox.Text
'Convert to decimal
'Simulation Time
Tt = 0
Else
End If
'Step time
If TimeInterval = "" Then
deltaI = 0.1
Else
deltaI = CDec(TimeInterval)
End If
'V
If Volume = "" Then
V = 1
Else
V = CDec(Volume)
End If
'F
F = 0
Else
F = CDec(FlowRate)
End If
'tau
tau = 1
Else
End If
'D
D = 1
156
Else
End If
'Biomass Conc
X0 = 0
Else
End If
'Sub1 biomass yield

If sub1BiomassYield = "" Then
Yxs1 = 0.5
Else
Yxs1 = CDec(sub1BiomassYield)
End If
'Yxs2
Yxs2 = 0.5
Else
End If
'Yxs3
Yxs3 = 0.5
Else
End If
'Yxs4
Yxs4 = 0.5
Else
End If
End Sub
#End Region
#Region "ReadSub1Data File"

sub1Conc = MultipleSubData.Sub1ConcTextBox.Text
sub1umax = MultipleSubData.Sub1umaxTextBox.Text
sub1Kd = MultipleSubData.Sub1kdTextBox.Text
sub1Ks = MultipleSubData.Sub1KsTextBox.Text
sub1mS = MultipleSubData.Sub1mSTextBox.Text
'Convert to Decimal
'Sub1 Conc
If sub1Conc = "" Then
S0 = 0
Else
S0 = CDec(sub1Conc)
End If
'umax
If sub1umax = "" Then
umax = 0
Else
umax = CDec(sub1umax)
End If
'kd
If sub1Kd = "" Then
kd1 = 0
Else
kd1 = CDec(sub1Kd)
End If
'Ks
If sub1Ks = "" Then
Ks1 = 0
Else
Ks1 = CDec(sub1Ks)
End If
'mS
If sub1mS = "" Then
mS1 = 0
Else
mS1 = CDec(sub1mS)
End If
End Sub
#End Region
157
sub2factor_f = MultipleSubData.Sub2fFactorTextBox.Text
'Convert to Decimal
'Sub1 Conc
S0_2 = 0
Else
S0_2 = CDec(sub2Conc)
End If
'f
If sub2factor_f = "" Then
factor_f = 0
Else
factor_f = CDec(sub2factor_f)
End If
'kd
If sub2Kd = "" Then
kd2 = 0
Else
kd2 = CDec(sub2Kd)
End If
'Ks
If sub2Ks = "" Then
Ks2 = 0
Else
Ks2 = CDec(sub2Ks)
End If
'mS
If sub2mS = "" Then
mS2 = 0
Else
mS2 = CDec(sub2mS)
End If
End Sub
#End Region

'21 variables
'Convert to Decimal
'Sub1 Conc
S0_3 = 0
Else
End If
'kd
If sub3Kd = "" Then
kd3 = 0
Else
kd3 = CDec(sub3Kd)
End If
'Ks
If sub3Ks = "" Then
Ks3 = 0
Else
Ks3 = CDec(sub3Ks)
End If
'mS
If sub3mS = "" Then
mS3 = 0
Else
mS3 = CDec(sub3mS)
End If
End Sub
#End Region
158
'Convert to Decimal
'Sub1 Conc
S0_4 = 0
Else
End If
'kd
If sub4Kd = "" Then
kd4 = 0
Else
kd4 = CDec(sub4Kd)
End If
'Ks
If sub4Ks = "" Then
Ks4 = 0
Else
Ks4 = CDec(sub4Ks)
End If
'mS
If sub4mS = "" Then
mS4 = 0
Else
mS4 = CDec(sub4mS)
End If
End Sub
#End Region
#Region "ReadPro1Data File"

pro1Conc = MultipleProData.Pro1ConcTextBox.Text
pro1ProductYield = MultipleProData.Pro1Yp1sTextBox.Text
pro1Kpg = MultipleProData.Pro1KpgTextBox.Text
pro1Kpng = MultipleProData.Pro1KpngTextBox.Text
pro1mP = MultipleProData.Pro1mPTextBox.Text
'Convert to decimal
'pro1 Conc
If pro1Conc = "" Then
P0_1 = 0
Else
P0_1 = CDec(pro1Conc)
End If
'pro1 Product Yield

If pro1ProductYield = "" Then
Yp1s = 1
Else
Yp1s = CDec(pro1ProductYield)
End If
'Kpg
If pro1Kpg = "" Then
kpg1 = 0
Else
kpg1 = CDec(pro1Kpg)
End If
'Kpng
If pro1Kpng = "" Then
kpng1 = 0
Else
kpng1 = CDec(pro1Kpng)
End If
'mP
If pro1mP = "" Then
mP1 = 0
Else
mP1 = CDec(pro1mP)
End If
End Sub
#End Region
159
pro2Conc = MultipleProData.Pro2ConcTextBox.Text
pro2ProductYield = MultipleProData.Pro2Yp2sTextBox.Text
pro2Kpg = MultipleProData.Pro2KpgTextBox.Text
pro2Kpng = MultipleProData.Pro2KpngTextBox.Text
pro2mP = MultipleProData.Pro2mPTextBox.Text
'Convert to decimal
'pro1 Conc
P0_2 = 0
Else
End If
'pro1 Product Yield

Yp2s = 1
Else
End If
'Kpg
kpg2 = 0
Else
End If
'Kpng
kpng2 = 0
Else
End If
'mP
If pro2mP = "" Then
mP2 = 0
Else
mP2 = CDec(pro2mP)
End If
'Pm
If pro2Pm = "" Then
Pm2 = 1
Else
Pm2 = CDec(pro2Pm)
End If
'n
If pro2n = "" Then
n2 = 1
Else
n2 = CDec(pro2n)
End If
'alpha
If pro2alpha = "" Then
alpha2 = 1
Else
alpha2 = CDec(pro2alpha)
End If
End Sub
#End Region
#End Region

StiTemp = S0
StiTemp2 = S0_2
StiTemp3 = S0_3
StiTemp4 = S0_4
XtiTemp = X0
PtiTemp = P0_1
PtiTemp2 = P0_2
End Sub
#End Region

160
RepX = 0
RepP = 0
RepP2 = 0
RepS = 0
RepS2 = 0
RepS3 = 0
RepS4 = 0
ElseIf CSTRRadioButton.Checked = True Then

RepP = (P0_1 - PtiTemp) * D * deltaT

RepP2 = (P0_2 - PtiTemp2) * D * deltaT

RepS2 = (S0_2 - StiTemp2) * D * deltaT
End If
End Sub
#End Region
#Region "Call ReplaceumaxCalTerm"

Private Sub ReplaceumaxCalTerm()
Dim minValue As Double
Dim num1 As Double
Dim num2 As Double
Dim num3 As Double
Dim num4 As Double
If (NumberSubstrateComboBox.Text = "2" AndAlso _

NumberProductComboBox.Text = "0") OrElse _
(NumberSubstrateComboBox.Text = "2" AndAlso _
NumberProductComboBox.Text = "2") Then
If CompSubComboBox.SelectedIndex = 0 Then
'Interactive Substrate
Rf = StiTemp / (Ks1 + StiTemp) * StiTemp2 / (Ks2 + StiTemp2)
RumaxCal = umax * Rf
RumaxCal2 = 0
ElseIf CompSubComboBox.SelectedIndex = 1 Then

'Find min value
num1 = StiTemp / (Ks1 + StiTemp)
num2 = StiTemp2 / (Ks2 + StiTemp2)
Dim arr(1) As Double

arr(0) = num1
arr(1) = num2
Array.Sort(arr)
minValue = arr(0)
Rf = minValue
'NonInteractive Substrate
RumaxCal2 = 0

'Substitutable substrate
RumaxCal = umax * StiTemp / (Ks1 + StiTemp)
RumaxCal2 = factor_f * umax * StiTemp2 / (Ks2 + StiTemp2) * Ks1 / (Ks1 + StiTemp)
End If
End If '200, 210, 220

Rf = StiTemp / (Ks1 + StiTemp) * StiTemp2 / (Ks2 + StiTemp2) * StiTemp3 / (Ks3 + StiTemp3)
RumaxCal2 = 0

'Find min value
161

arr(0) = num1
arr(1) = num2
arr(2) = num3
Array.Sort(arr)
minValue = arr(0)
Rf = minValue
RumaxCal2 = 0

Rf = 0
RumaxCal = umax * StiTemp / (Ks1 + StiTemp) * StiTemp3 / (Ks3 + StiTemp3)
RumaxCal2 = factor_f * umax * StiTemp2 / (Ks2 + StiTemp2) * (Ks1 / (Ks1 + StiTemp))
End If
End If '300, 310, 320

F = StiTemp / (Ks1 + StiTemp) * StiTemp2 / (Ks2 + StiTemp2) * StiTemp3 / (Ks3 + StiTemp3) * StiTemp4 / (Ks4 +
StiTemp4)
RumaxCal2 = 0

'Find min value

arr(0) = num1
arr(1) = num2
arr(2) = num3
arr(3) = num4
Array.Sort(arr)
minValue = arr(0)
Rf = minValue
'NonInteractive Substrate
RumaxCal2 = 0

'Substitutable Substrate
RumaxCal = umax * StiTemp / (Ks1 + StiTemp) * StiTemp3 / (Ks3 + StiTemp3) * StiTemp4 / (Ks4 + StiTemp4)
RumaxCal2 = factor_f * umax * (StiTemp2 / (Ks2 + StiTemp2)) * (Ks1 / (Ks1 + StiTemp))
End If
End If '400, 410, 420
End Sub
#End Region

D = F / V
D = D
D = 1 / tau
End If
End Sub
#End Region
162
'///Start Progress
''\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\Initial data
'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution Rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\ Substrate Data

'Sub1, Sub2
If NumberSubstrateComboBox.Text = "2" Then
'Data
If MultipleSubData.BiomassConcTextBox.Text = "" OrElse _
MultipleSubData.Sub1ConcTextBox.Text = "" OrElse _
MultipleSubData.Sub1Yxs1TextBox.Text = "" OrElse _
MultipleSubData.Sub1umaxTextBox.Text = "" OrElse _
MultipleSubData.Sub1KsTextBox.Text = "" OrElse _
163
MultipleSubData.Sub2fFactorTextBox.Text = "" Then
"Message", _
MultipleSubData.ShowDialog()
'///Cancel Progress
Exit Sub
End If
'CompSub
If MultipleSubData.Sub2fFactorTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'CompSub
'Sub1Name cannot be empty

If MultipleSubData.Sub1NameComboBox.Text = "" Then
MessageBox.Show("Name of substrate 1 is required." & ControlChars.NewLine & _
"Please select again!", _
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
'Name of Sub1 and Sub2 cannot be the same

If StrComp(MultipleSubData.Sub1NameToolStripLabel.Text, MultipleSubData.Sub2NameToolStripLabel.Text) = 0 Then
MessageBox.Show("Cannot have the same name for Substrate 1 and Substrate 2." & ControlChars.NewLine & _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '2 Substrate
'Sub1, Sub2, Sub3

'Data
164
MultipleSubData.Sub2fFactorTextBox.Text = "" OrElse _
MultipleSubData.Sub3KsTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
'CompSub
"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'CompSub

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
165
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
End If '3 Substrate
'Sub1, Sub2, Sub3, Sub4

'Data
MultipleSubData.Sub2fFactorTextBox.Text = "" OrElse _
MultipleSubData.Sub4KsTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
'CompSub
"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'CompSub

"Message", _
'///Cancel Progress
166
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
167
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
End If '4 Substrate
'\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\ Product Data

'1 Product
'ProType
If MultipleProData.Pro1TypeToolStripLabel.Text = "Growth" OrElse _
MultipleProData.Pro1TypeToolStripLabel.Text = "" Then
If MultipleProData.Pro1KpgTextBox.Text = "" Then
"Message", _
MultipleProData.ShowDialog()
'///Cancel Progress
Exit Sub
End If
ElseIf MultipleProData.Pro1TypeToolStripLabel.Text = "NonGrowth" Then

If MultipleProData.Pro1KpngTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
ElseIf MultipleProData.Pro1TypeToolStripLabel.Text = "Mix" Then

If MultipleProData.Pro1KpgTextBox.Text = "" OrElse _
MultipleProData.Pro1KpngTextBox.Text = "" Then
"Message", _
'///Cancel Progress
168
Exit Sub
End If
End If 'Pro Type
'Product Yield
If MultipleProData.Pro1Yp1sTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If 'Pro Yield
'Pro1Name cannot be empty

If MultipleProData.Pro1NameComboBox.Text = "" Then
MessageBox.Show("Name of Product 1 is required.", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '1 Product
'2 Product
'\\\\\\\\\\\\\\\\\\\\\ Product 1
'ProType
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'Pro Type
'Product Yield
"Message", _
'///Cancel Progress
169
Exit Sub
End If 'Pro1 Yield

"Message", _
'///Cancel Progress
Exit Sub
End If
'\\\\\\\\\\\\\\\\\\\\\Product 2
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'Pro Type
'Product Yield
"Message", _
'///Cancel Progress
Exit Sub
End If 'Pro2 Yield
'Ref sub cannot be the same

If (MultipleProData.Pro1RefSubToolStripLabel.Text = "1" AndAlso _
MultipleProData.Pro2RefSubToolStripLabel.Text = "1") OrElse _
(MultipleProData.Pro1RefSubToolStripLabel.Text = "2" AndAlso _
MultipleProData.Pro2RefSubToolStripLabel.Text = "4") Then
MessageBox.Show("Cannot have the same reference substrate." & ControlChars.NewLine & _
"Message", _
'///Cancel Progress
170
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
'Pro1 and Pro2 cannot have the same name

If StrComp(MultipleProData.Pro1NameToolStripLabel.Text, MultipleProData.Pro2NameToolStripLabel.Text) = 0 Then
MessageBox.Show("Cannot have the same name for Product 1 and Product 2." & ControlChars.NewLine & _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '2 Product
'Show Table
Call HideAllGroup()
'AutScroll
'Hide
'Clear ComboBox
Call ClearResultComboBox()
'ReadData
Call ReadBioOperation()
Call ReadSub1Data()
Call ReadSub2Data()
Call ReadSub3Data()
Call ReadSub4Data()
Call ReadPro1Data()
Call ReadPro2Data()
'Calculation
Call MultipleCalculation()
'///Done Progress
'Button
End Sub
#End Region
171
APPENDIX H
VB CODE FOR INHIBITION MODEL

Private Sub _Parent_Load(ByVal sender As Object, ByVal e As System.EventArgs) _
Handles Me.Load
'CAPS-NUM
CheckLockKeys()
'Panel
'Bio Operation
'Load or OpenFile
NumberProductToolStripLabel.Text = "" AndAlso _
NumberToxicToolStripLabel.Text = "" Then
'For Load
'Substrate
NumberSubstrateComboBox.Text = NumberSubstrateComboBox.Items(0).ToString
'Product
Call NumberSubstrateChanged_Load()
'Toxic
NumberToxicComboBox.Items.Clear()
NumberToxicComboBox.Items.Add("0")
NumberToxicComboBox.Text = NumberToxicComboBox.Items(0).ToString

NumberProductToolStripLabel.Text <> "" AndAlso _
NumberToxicToolStripLabel.Text <> "" Then
'For Open File
'Substrate
'Product
Call NumberSubstrateChanged_OpenFile()
'Toxic
NumberToxicComboBox.Items.Clear()
NumberToxicComboBox.Text = NumberToxicToolStripLabel.Text
End If
'Complementary
Dim items(2) As String
For i As Int32 = 0 To 2
items(i) = "Item " & i.ToString
Next
Me.CompSubComboBox.Items.AddRange(items)
Me.CompSubComboBox.DropDownStyle = ComboBoxStyle.DropDownList
Me.CompSubComboBox.DrawMode = DrawMode.OwnerDrawVariable
Me.CompSubComboBox.ItemHeight = Me.CompSubImageList.ImageSize.Height
Me.CompSubComboBox.Width = Me.CompSubImageList.ImageSize.Width + 20
Me.CompSubComboBox.MaxDropDownItems = Me.CompSubImageList.Images.Count
'Selected Index
If CompSubLabel.Text = "Monod's Model" OrElse _
CompSubLabel.Text = "" Then
'CompSubComboBox.Enabled = False
ElseIf CompSubLabel.Text = "Competitive" Then

'CompSubComboBox.Enabled = True
ElseIf CompSubLabel.Text = "Non-Competitive" Then
172
'CompSubComboBox.Enabled = True
End If
'Enable
'Show GroupBox
Call ShowGroupBox()
End Sub
#End Region

'Batch
End If
'CSTR
BatchPicturePanel.Location.X + _
ModelTableLayoutPanel.Location.X, _
End If
End Sub
#End Region
#Region "EnableCommandButton"
OperationParaGroupBox.Visible = True Then

End If

End If
End Sub
#End Region

Private Sub ClearComboBox()
y4Xeno1ComboBox.Items.Clear()
y4Xeno2ComboBox.Items.Clear()
173
y7rDComboBox.Items.Clear()
'Step
y4Xeno1StepComboBox.Items.Clear()
y4Xeno2StepComboBox.Items.Clear()
y7rDStepComboBox.Items.Clear()
End Sub
#End Region
'**************************************Operation Parameters

Private TimeInterval As String = ""
Private RecycleRatio As String = ""
Private ConcFactor As String
Private V As Double
Private F As Double
Private D As Double
'***************************************Biomass Variables
Private rX1 As Double = 0
Private rD As Double = 0
'**************************************Substrate 1 Variables
Private sub1InhibitionConst As String

174
Private kd1 As Double
Private Ks1 As Double
Private mS1 As Double
Private KI1 As Double

Private KEd1 As Double
Private Sopt1 As Double
'****************************************Substrate 2 Variables

Private sub2PreferSub As String
Private sub2InhibitionConst As String

Private sub2ComplementaryType As String = ""


'**********************************************Substrate 3 Variables


'*******************************************Substrate 4 Variables

'**************************************Product 1 Variables

Private pro1InhibitionConst As String
Private pro1Pm As String
Private pro1n As String
Private pro1alpha As String
Private pro1InhibitionType As String = ""
Private P0_1 As Double

Private Yp1s As Double
Private kpg1 As Double
Private kpng1 As Double
Private mP1 As Double
Private KpI1 As Double

Private Pm1 As Double
Private n1 As Double
175
Private alpha1 As Double
'**************************************Product 2 Variables

Private rP2 As Double = 0
'****************************************************Toxic Variables
'Toxic 1
Private toxic1Conc As String
Private toxic1RefSub As String
Private toxic1KxI As String
Private toxic1InhibitionType As String
Private Xe1 As Decimal

Private XetiTemp As Decimal
Private KxI1 As Decimal
'Toxic 2
Private toxic2Conc As String
Private toxic2RefSub As String
Private toxic2KxI As String
Private toxic2InhibitionType As String
Private Xe2 As Decimal

Private XetiTemp2 As Decimal
Private KxI2 As Decimal
'********************************************************Variables For calculation


Private RepP2 As Double
Private Rf As Double
Private Rpng As Double

Private Rpng2 As Double
Private RumaxCal As Double

Private RumaxCal2 As Double
'1

'2
Private Pti2 As Double

Private PtiTemp2 As Double
'3
'4
Private Rf_S1 As Double

176
Private Rf_P1 As Double
Private Rf_P2 As Double
Private Rf_Xe1 As Double

Private Rf_Xe2 As Double


'**********************************************************Graph


Private y4Toxic1 As Double

Private y4Toxic2 As Double

Private y7rD As Double
#End Region
#Region "Call ReadDataFile"
#Region "ReadBioOperation File"

Private Sub ReadBioOperation()
TimeInterval = StepTimeTextBox.Text
biomassConc = InhibitionSubData.BiomassConcTextBox.Text
sub1BiomassYield = InhibitionSubData.Sub1Yxs1TextBox.Text
'Convert to decimal
'Simulation Time
Tt = 0
Else
End If
'Step time
If TimeInterval = "" Then
deltaI = 0.1
Else
deltaI = CDec(TimeInterval)
End If
'V
If Volume = "" Then
V = 1
Else
V = CDec(Volume)
End If
'F
177
F = 0
Else
F = CDec(FlowRate)
End If
'tau
tau = 1
Else
End If
'D
D = 1
Else
End If
'Biomass Conc
X0 = 0
Else
End If
'Sub1 biomass yield

Yxs1 = 0.5
Else
End If
'Yxs2
Yxs2 = 0.5
Else
End If
'Yxs3
Yxs3 = 0.5
Else
End If
'Yxs4
Yxs4 = 0.5
Else
End If
End Sub
#End Region

sub1Conc = InhibitionSubData.Sub1ConcTextBox.Text
sub1umax = InhibitionSubData.Sub1umaxTextBox.Text
sub1Kd = InhibitionSubData.Sub1kdTextBox.Text
sub1Ks = InhibitionSubData.Sub1KsTextBox.Text
sub1mS = InhibitionSubData.Sub1mSTextBox.Text
sub1InhibitionConst = InhibitionSubData.Sub1KITextBox.Text
sub1EdwardConst = InhibitionSubData.Sub1KEdTextBox.Text
sub1OptSubstrate = InhibitionSubData.Sub1OptSubTextBox.Text
'Convert to Decimal
'Sub1 Conc
S0 = 0
Else
S0 = CDec(sub1Conc)
End If
'umax
If sub1umax = "" Then
umax = 0
Else
umax = CDec(sub1umax)
End If
'kd
If sub1Kd = "" Then
kd1 = 0
178
Else
kd1 = CDec(sub1Kd)
End If
'Ks
If sub1Ks = "" Then
Ks1 = 0
Else
Ks1 = CDec(sub1Ks)
End If
'mS
If sub1mS = "" Then
mS1 = 0
Else
mS1 = CDec(sub1mS)
End If
'Inhibition Const
If sub1InhibitionConst = "" Then
KI1 = 0
Else
KI1 = CDec(sub1InhibitionConst)
End If
'Edward const
If sub1EdwardConst = "" Then
KEd1 = 0
Else
KEd1 = CDec(sub1EdwardConst)
End If
'Sopt
If sub1OptSubstrate = "" Then
Sopt1 = 0
Else
Sopt1 = CDec(sub1OptSubstrate)
End If
End Sub
#End Region

'21 variables
sub2umax = InhibitionSubData.Sub2umaxTextBox.Text
sub2InhibitionConst = InhibitionSubData.Sub2KITextBox.Text
sub2EdwardConst = InhibitionSubData.Sub2KEdTextBox.Text
sub2OptSubstrate = InhibitionSubData.Sub2OptSubTextBox.Text
'Convert to Decimal
'Sub1 Conc
S0_2 = 0
Else
End If
'kd
If sub2Kd = "" Then
kd2 = 0
Else
kd2 = CDec(sub2Kd)
End If
'Ks
If sub2Ks = "" Then
Ks2 = 0
Else
Ks2 = CDec(sub2Ks)
End If
'mS
If sub2mS = "" Then
mS2 = 0
Else
mS2 = CDec(sub2mS)
End If
'Inhibition Const
If sub2InhibitionConst = "" Then
KI2 = 0
Else
KI2 = CDec(sub2InhibitionConst)
End If
'Edward const
179
If sub2EdwardConst = "" Then
KEd2 = 0.5
Else
KEd2 = CDec(sub2EdwardConst)
End If
'Sopt
If sub2OptSubstrate = "" Then
Sopt2 = 0.5
Else
Sopt2 = CDec(sub2OptSubstrate)
End If
End Sub
#End Region

'Convert to Decimal
'Sub1 Conc
S0_3 = 0
Else
End If
'kd
If sub3Kd = "" Then
kd3 = 0
Else
kd3 = CDec(sub3Kd)
End If
'Ks
If sub3Ks = "" Then
Ks3 = 0
Else
Ks3 = CDec(sub3Ks)
End If
'mS
If sub3mS = "" Then
mS3 = 0
Else
mS3 = CDec(sub3mS)
End If
End Sub
#End Region

'Convert to Decimal
'Sub1 Conc
S0_4 = 0
Else
End If
'kd
If sub4Kd = "" Then
kd4 = 0
Else
kd4 = CDec(sub4Kd)
End If
'Ks
If sub4Ks = "" Then
Ks4 = 0
Else
Ks4 = CDec(sub4Ks)
End If
'mS
If sub4mS = "" Then
180
mS4 = 0
Else
mS4 = CDec(sub4mS)
End If
End Sub
#End Region

Private Sub ReadBioPro1Data()
pro1Conc = InhibitionProData.Pro1ConcTextBox.Text
pro1ProductYield = InhibitionProData.Pro1Yp1sTextBox.Text
pro1InhibitionConst = InhibitionProData.Pro1KpTextBox.Text
pro1Kpg = InhibitionProData.Pro1KpgTextBox.Text
pro1Kpng = InhibitionProData.Pro1KpngTextBox.Text
pro1mP = InhibitionProData.Pro1mPTextBox.Text
pro1Pm = InhibitionProData.Pro1PmTextBox.Text
pro1n = InhibitionProData.Pro1nTextBox.Text
pro1alpha = InhibitionProData.Pro1alphaTextBox.Text
'Convert to decimal
'pro1 Conc
P0_1 = 0
Else
End If
'pro1 Product Yield

Yp1s = 0
Else
End If
'KpI
If pro1InhibitionConst = "" Then
KpI1 = 0
Else
KpI1 = CDec(pro1InhibitionConst)
End If
'Kpg
kpg1 = 0
Else
End If
'Kpng
kpng1 = 0
Else
End If
'mP
If pro1mP = "" Then
mP1 = 0
Else
mP1 = CDec(pro1mP)
End If
'Pm
If pro1Pm = "" Then
Pm1 = 0
Else
Pm1 = CDec(pro1Pm)
End If
'n
If pro1n = "" Then
n1 = 0
Else
n1 = CDec(pro1n)
End If
'alpha
If pro1alpha = "" Then
alpha1 = 0
Else
alpha1 = CDec(pro1alpha)
End If
End Sub
#End Region
181
Private Sub ReadBioPro2Data()
pro2Conc = InhibitionProData.Pro2ConcTextBox.Text
pro2ProductYield = InhibitionProData.Pro2Yp2sTextBox.Text
pro2Kpg = InhibitionProData.Pro2KpgTextBox.Text
pro2Kpng = InhibitionProData.Pro2KpngTextBox.Text
pro2mP = InhibitionProData.Pro2mPTextBox.Text
'Convert to decimal
'pro1 Conc
P0_2 = 0
Else
End If
'pro1 Product Yield

Yp2s = 1
Else
End If
'Kpg
kpg2 = 0
Else
End If
'Kpng
kpng2 = 0
Else
End If
'mP
If pro2mP = "" Then
mP2 = 0
Else
mP2 = CDec(pro2mP)
End If
End Sub
#End Region
#Region "ReadToxicData File"

Private Sub ReadToxicFile()
toxic1Conc = InhibitionToxicData.Toxic1ConcTextBox.Text
toxic1KxI = InhibitionToxicData.Toxic1KITextBox.Text
toxic2Conc = InhibitionToxicData.Toxic2ConcTextBox.Text
toxic2KxI = InhibitionToxicData.Toxic2KITextBox.Text
'Convert to decimal
'Xe1
If toxic1Conc = "" Then
Xe1 = 0
Else
Xe1 = CDec(toxic1Conc)
End If
'KxI1
If toxic1KxI = "" Then
KxI1 = 0.5
Else
KxI1 = CDec(toxic1KxI)
End If
'Xe2
If toxic2Conc = "" Then
Xe2 = 0
Else
Xe2 = CDec(toxic2Conc)
End If
'KxI2
If toxic2KxI = "" Then
KxI2 = 0.5
Else
KxI2 = CDec(toxic2KxI)
End If
End Sub
#End Region
#End Region
182
StiTemp = S0
StiTemp2 = S0_2
StiTemp3 = S0_3
StiTemp4 = S0_4
XtiTemp = X0
PtiTemp = P0_1
PtiTemp2 = P0_2
XetiTemp = Xe1
XetiTemp2 = Xe2
rS = 0
rS2 = 0
rS3 = 0
rS4 = 0
rX = 0
rP = 0
rP2 = 0
End Sub
#End Region

RepX = 0
RepP = 0
RepP2 = 0
RepS = 0
RepS2 = 0
RepS3 = 0
RepS4 = 0
ElseIf CSTRRadioButton.Checked = True Then

RepP = (P0_1 - PtiTemp) * D * deltaT

RepP2 = (P0_2 - PtiTemp2) * D * deltaT

End If
End Sub
#End Region
#Region "Call ReplaceumaxCalTerm"

Private Sub ReplaceumaxCalTerm()
Dim minValue As Double
Dim num1 As Double
Dim num2 As Double
Dim num3 As Double
Dim num4 As Double
Rf = Rf_S1 * Rf_P1 * Rf_Xe1 * Rf_Xe2

Rf = Rf_S1 * Rf_S2 * Rf_S3 * Rf_S4 * Rf_P1 * Rf_Xe1 * Rf_Xe2

If (Sub2InhibitionTypeLabel.Text = "" OrElse _
Sub2InhibitionTypeLabel.Text = "None") AndAlso _
(Sub1InhibitionTypeLabel.Text = "Comp" OrElse _
Sub1InhibitionTypeLabel.Text = "NonComp" OrElse _
Sub1InhibitionTypeLabel.Text = "Andrew" OrElse _
Sub1InhibitionTypeLabel.Text = "Edward" OrElse _
Sub1InhibitionTypeLabel.Text = "Steele") Then
'Only S1 is inhibitory, find minValue of S2, S3, S4

arr(0) = num2
arr(1) = num3
arr(2) = num4
Array.Sort(arr)
minValue = arr(0)
Rf = Rf_S1 * minValue * Rf_P1 * Rf_Xe1 * Rf_Xe2
183
ElseIf (Sub1InhibitionTypeLabel.Text = "" OrElse _
Sub1InhibitionTypeLabel.Text = "None") AndAlso _
'Only S2 is inhibitory, find minValue of S1, S3, S4

arr(0) = num1
arr(1) = num3
arr(2) = num4
Array.Sort(arr)
minValue = arr(0)
Rf = Rf_S2 * minValue * Rf_P1 * Rf_Xe1 * Rf_Xe2
ElseIf (Sub1InhibitionTypeLabel.Text = "Comp" OrElse _

Sub1InhibitionTypeLabel.Text = "Steele") AndAlso _
'Both S1, S2 are inhibitory, find minValue of S3, S4

arr(0) = num3
arr(1) = num4
Array.Sort(arr)
minValue = arr(0)
Rf = Rf_S1 * Rf_S2 * minValue * Rf_P1 * Rf_Xe1 * Rf_Xe2
End If
End If
End Sub
#End Region

D = F / V
D = D
D = 1 / tau
End If
End Sub
#End Region

'///Start Progress
'MessageBox for Multiple Substrate

If (NumberSubstrateComboBox.Text = "2" OrElse _
NumberSubstrateComboBox.Text = "3" OrElse _
NumberSubstrateComboBox.Text = "4") AndAlso _
CompSubComboBox.SelectedIndex = 0 Then
MessageBox.Show("Cannot have Monod's Model for Multiple Substrate", _
"Message", _
'///Cancel Progress
Exit Sub
ElseIf NumberSubstrateComboBox.Text = "1" AndAlso _

(CompSubComboBox.SelectedIndex = 1 OrElse _
CompSubComboBox.SelectedIndex = 2) Then
MessageBox.Show("Cannot have Complementary Substrate Model for Single Substrate", _
"Message", _
184
'///Cancel Progress
Exit Sub
End If
''Check if there's suffificent data

'Simulation Time
"Message", _
'///Cancel Progress
Exit Sub
End If

'Flow rate
'Volume
"Message", _
'///Cancel Progress
Exit Sub
End If
'Flow rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Dilution Rate
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'Retention Time
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
End If 'CSTR
'\\\\\\\\\\\\\\\\\\\\\\\\\\\\ Substrate Data

'1 Sub
'Data
If InhibitionSubData.BiomassConcTextBox.Text = "" OrElse _
InhibitionSubData.Sub1ConcTextBox.Text = "" OrElse _
InhibitionSubData.Sub1Yxs1TextBox.Text = "" OrElse _
InhibitionSubData.Sub1umaxTextBox.Text = "" OrElse _
InhibitionSubData.Sub1KsTextBox.Text = "" Then
185
"Message", _
InhibitionSubData.ShowDialog()
'///Cancel Progress
Exit Sub
End If

If InhibitionSubData.Sub1NameComboBox.Text = "" Then
MessageBox.Show("Name of Substrate 1 is required.", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '1 Sub
'2 Sub
'Data
InhibitionSubData.Sub1KsTextBox.Text = "" OrElse _
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

If StrComp(InhibitionSubData.Sub1NameToolStripLabel.Text, InhibitionSubData.Sub2NameToolStripLabel.Text) = 0 Then
"Message", _
'///Cancel Progress
Exit Sub
End If
186
End If '2 Sub
'3 Sub
'Data
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
187
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
End If '3 Sub
'4 Sub
'Data
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
188
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

189
"Message", _
'///Cancel Progress
Exit Sub
End If
End If
'\\\\\\\\\\\\ Product Data

'Data
If InhibitionProData.Pro1TypeToolStripLabel.Text = "Growth" OrElse _
InhibitionProData.Pro1TypeToolStripLabel.Text = "" Then
If InhibitionProData.Pro1KpgTextBox.Text = "" Then
"Message", _
InhibitionProData.ShowDialog()
'///Cancel Progress
Exit Sub
End If
ElseIf InhibitionProData.Pro1TypeToolStripLabel.Text = "NonGrowth" Then

If InhibitionProData.Pro1KpngTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
ElseIf InhibitionProData.Pro1TypeToolStripLabel.Text = "Mix" Then

If InhibitionProData.Pro1KpgTextBox.Text = "" OrElse _
InhibitionProData.Pro1KpngTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'Pro Type
'Product Yield
If InhibitionProData.Pro1Yp1sTextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If 'Pro Yield

If InhibitionProData.Pro1NameComboBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '1 Product
'2 Product
'\\\\\\\\\\\\\\\\\\\\\ Product 1
190
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'Pro Type
'Product Yield
"Message", _
'///Cancel Progress
Exit Sub
End If 'Pro1 Yield

"Message", _
'///Cancel Progress
Exit Sub
End If
'\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\ Product 2
'Data
"Message", _
'///Cancel Progress
Exit Sub
End If

"Message", _
191
'///Cancel Progress
Exit Sub
End If

"Message", _
'///Cancel Progress
Exit Sub
End If
End If 'Pro Type
'Product Yield
"Message", _
'///Cancel Progress
Exit Sub
End If 'Pro2 Yield

"Message", _
'///Cancel Progress
Exit Sub
End If
'Pro1 and Pro2 cannot have the same name

If StrComp(InhibitionProData.Pro1NameToolStripLabel.Text, InhibitionProData.Pro2NameToolStripLabel.Text) = 0 Then
MessageBox.Show("Cannot have the same name for Product 1 and Product 2." & ControlChars.NewLine & _
"Message", _
'///Cancel Progress
Exit Sub
End If 'Pro Name
'Ref Sub cannot be the same

If (InhibitionProData.Pro1RefSubToolStripLabel.Text = "1" AndAlso _
InhibitionProData.Pro2RefSubToolStripLabel.Text = "1") OrElse _
(InhibitionProData.Pro1RefSubToolStripLabel.Text = "2" AndAlso _
InhibitionProData.Pro2RefSubToolStripLabel.Text = "4") Then
"Message", _
'///Cancel Progress
Exit Sub
End If 'Ref sub
End If '2 Product
'\\\\\\\\\\\\\\\\\\\\\\ Toxic Data

'1 Xeno Comp
If NumberToxicComboBox.Text = "1" Then
192
'Data
If InhibitionToxicData.Toxic1ConcTextBox.Text = "" OrElse _
InhibitionToxicData.Toxic1KITextBox.Text = "" Then
"Message", _
InhibitionToxicData.ShowDialog()
'///Cancel Progress
Exit Sub
End If
'Toxic1Name cannot be empty

If InhibitionToxicData.Xeno1NameComboBox.Text = "" Then
MessageBox.Show("Name of Xeno Compound 1 is required.", _
"Message", _
'///Cancel Progress
Exit Sub
End If
End If '1 Xeno Comp
'2 Xeno Comp

If NumberToxicComboBox.Text = "2" Then
If InhibitionToxicData.Toxic1ConcTextBox.Text = "" OrElse _
InhibitionToxicData.Toxic1KITextBox.Text = "" OrElse _
InhibitionToxicData.Toxic2ConcTextBox.Text = "" OrElse _
InhibitionToxicData.Toxic2KITextBox.Text = "" Then
"Message", _
'///Cancel Progress
Exit Sub
End If
'Xeno1Name cannot be empty

"Message", _
'///Cancel Progress
Exit Sub
End If
'Xeno2Name cannot be empty

"Message", _
'///Cancel Progress
Exit Sub
End If
'Xeno1 and Xeno2 cannot have the same name

If StrComp(InhibitionToxicData.Xeno1NameToolStripLabel.Text, InhibitionToxicData.Xeno2NameToolStripLabel.Text) = 0
Then
MessageBox.Show("Cannot have the same name for Xeno Compound 1 and Xeno compound 2." & ControlChars.NewLine & _
"Message", _
'///Cancel Progress
Exit Sub
End If 'Xeno Name
'Ref sub cannot be the same

If (InhibitionToxicData.Xeno1RefSubToolStripLabel.Text = "1" AndAlso _
InhibitionToxicData.Xeno2RefSubToolStripLabel.Text = "1") OrElse _
193
(InhibitionToxicData.Xeno1RefSubToolStripLabel.Text = "2" AndAlso _
InhibitionToxicData.Xeno2RefSubToolStripLabel.Text = "4") Then
"Message", _
'///Cancel Progress
Exit Sub
End If 'Ref sub
End If '2 Xeno Comp
'Show Table
Call HideAllGroup()
'AutScroll
'Clear ComboBox
Call ClearComboBox()
'Read BioOperationData
Call ReadBioOperation()
'Read Sub1Data
Call ReadSub1Data()
'Read Sub2Data
Call ReadSub2Data()
'Read Sub3Data
Call ReadSub3Data()
'Read Sub4Data
Call ReadSub4Data()
'Read Product1Data
Call ReadBioPro1Data()
'Read Product2Data
Call ReadBioPro2Data()
'Read ToxicData
Call ReadToxicFile()
'Calculation
Call InhibitionModelCalculation()
'///Done Progress
'Button
End Sub
#End Region
194
REFERENCES
Birol, G., Undey, C., Cinar, A., A modular simulation package for fed-batch fermentation:
penicillin production, Computers and Chemical Engineering, 2002.
Drapcho, C. M., Nghiem, P. N., Walker, T. W., Biofuel engnieering process technology, 2008.
GimBun, J., Radiah, A. B. D., Chuah, T. G., Bioreactor design via spreadsheet - a study on the
monosodium glutamate (MSG) process, Journal of Food Engineering, 2004.
Krishnan, M. S., Fermentation kinetics of ethanol production from glucose and xylose by
Recombinant Saccharomyces 1400 (pLNH33), Applied Biochemistry and Biotechnology, 1999.
Nemeth, A., Sevella, B., Development of a new bioprocess for production of 1,3 – propandiol I.:
Modeling of Glycerol bioconversion to 1,3 – propanediol with Klebsiella pneumoniae enzymes,
Appl Biochem Biotechnol, 2008.
Rizzo, D. M., The comparison of four dynamic systems-based software packages: Translation
and sensitivity analysis, Environmental Modeling and Software, 2006.
Pfeifer, M. J., Effect of culture conditions on Xylitol production by Candida guilliermondii FTI
20037, Appl Biochem Biotechnol, 1996.
Shanklin, T., Selection of bioprocess simulation software for industrial applications, Biotechnol
Bioeng, 2000.
Shi, J., Functional Food Ingredients and Nutraceuticals: Processing Technologies (Functional
Foods and Nutraceuticals), 2006.
Yu, X., Biohydrogen production by the hyperthermophilic bacterium Thermotoga Neapolitana,
2007.
195

BioMASS v2.0 A NEW TOOL FOR BIOPROCESS SIMULATION

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BioMASS v2.0 A NEW TOOL FOR BIOPROCESS SIMULATION

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Clemson University

BioMASS v2.0: A NEW TOOL FOR

Follow this and additional works at: https://tigerprints.clemson.edu/all_theses

A simulation software (BioMASS – Biological Modeling and Simulation

in the development of BioMASS v2.0 was to provide users with a ready-to-use,

summary, BioMASS v2.0 offers an effective way of better understanding bioprocessing.

him for critical review of my thesis.

lot to complete this thesis.

I would like to take this opportunity to express my deep gratitude to my parents,

long course of my study.

everything they did to make my stay here an experience for a lifetime.

TITLE PAGE ....................................................................................................................... i

ACKNOWLEDGEMENTS ............................................................................................... iii

TABLE OF CONTENTS ................................................................................................... iv

LIST OF FIGURES ........................................................................................................... vi

LIST OF TABLES ............................................................................................................. ix

BIOPROCESS MODELING AND SIMULATION USING BioMASS v2.0 .......... 29

COMMANDS IN BioMASS v2.0 ............................................................................. 64

DETAILS OF “NOTEBOOK” COMMAND............................................................ 75

VB CODE FOR ZERO-ORDER CHEMICAL REACTION.................................... 83

VB CODE FOR FIRST-ORDER CHEMICAL REACTION ................................. 106

VB CODE FOR SECOND-ORDER CHEMICAL REACTION ............................ 118

VB CODE FOR SINGLE LIMITING NUTRIENT................................................ 130

VB CODE FOR MULTIPLE LIMITING NUTRIENTS ........................................ 151

VB CODE FOR INHIBITION MODEL ................................................................. 172

Figure 2.1. “Start Page” window. ....................................................................................... 7

Figure 2.2. Commands in “File” Menu. .............................................................................. 8

Figure 2.3. “Add another reactor” checkbox is selected. .................................................. 11

Figure 2.5. “Temperature Effect” window. ...................................................................... 13

Figure 2.6. Simulation window of “Single Limiting Nutrient”. ....................................... 16

Figure 2.7. “Enter Data for Bioreactor 1” window. .......................................................... 17

Figure 2.10. Save Data, Results and Graphs in Excel. ..................................................... 21

Figure 2.11. Simulation window of Multiple Limiting Nutrients. .................................... 22

Figure 2.14. Simulation window of Inhibition Model. ..................................................... 25

Figure 3.1. Start Pageof BioMASS v2.0. .......................................................................... 34

Figure 3.2. “Enter data for Substrate” window. ................................................................ 35

Figure 3.4. “Notebook” window in BioMASS v2.0 ......................................................... 37

Figure 3.6. Studentized residual plot for glucose concentration. ...................................... 42

Figure 3.7. Studentized residual plot for biomass concentration. ..................................... 42

Figure 3.8. Studentized residual plot for Hydrogen concentration. .................................. 43

Figure 3.10. Simulated profiles of H2 concentration with various initial glucose

Figure 3.12. Simulated profiles of H2 concentration with different K S values in a batch

Figure 3.13. Simulated profiles of H2 concentration with different YX / S values in batch

Figure 3.15. Simulated profiles of glucose, biomass and H2 concentration at various

Figure 3.16. Simulated profiles of H2 concentration at various initial glucose

Figure 3.18. Studentized residual plot for xylose concentration. ..................................... 53

Figure 3.19. Studentized residual plot for xylitol concentration. ..................................... 54

Figure 3.22. Simulated profiles of xylitol concentration with different K S2 values in a

Figure 3.23. Simulated profiles of xylitol concentration with different YX / S1 values in a

Figure 3.24. Simulated profiles of xylitol concentration with different YX / S2 values in a

Figure A. 1. Commands in “View” Menu. ....................................................................... 65

Figure A. 2. Commands in “Tools” Menu. ....................................................................... 66

Figure A. 3. Commands in “Windows” Menu. ................................................................. 67

Figure A. 4. Commands in “Help” Menu. ........................................................................ 68

Figure A. 5. “Notebook” window. .................................................................................... 69

Figure A. 6. “About BioMASS v2.0” window. ................................................................ 70

Figure A. 7. Standard Toolbar and Calculation Toolbar. ................................................. 70

Figure A. 8. Scroll Bar and Status Bar.............................................................................. 73

Table A. 1. List of command icons in Standard Toolbar. ................................................. 71

Table A. 2. List of command icons in Calculation Toolbar.............................................. 72

Table A. 3. List of common function keys. ...................................................................... 73

Bioprocess simulation software

and put into the system.

in 2006 that included: