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Epsilon Software

Information
Available alongside this book is a copy of the software epsilon which allows the simulation
of the operation of enzymatic reactors. epsilon has been designed to illustrate the main
topics included in this book, offering an additional tool to improve the understanding of the
design and operation of enzymatic reactors (specifically Chapters 4 to 6). Guidelines for
software installation are given below:

i. Program Installing
Two situations may occur during installation:
– Matlab1 is already installed in user’s computer
The program was built using Matlab1’s compiler toolbox. Hence, if Matlab1 is
installed in the user’s computer, open the distrib folder and run the file Epsilon_32.
exe or Epsilon_64.ex, depending on the system’s architecture.
– Matlab1 is not installed in user’s computer
First, open the Matlab1 package (Epsilon_64_pkg or Epsilon_32_pkg, depending on the
system’s architecture). Two files will be created in the current directory. Second, open
MCRInstaller.exe and follow the installer instructions. Once the installation is complete,
open the newly created Epsilon_64.exe or Epsilon_32.exe.

ii. Program Description
This software was designed with a simple interface, with the purpose of allowing the
comparison of reactor behavior under different scenarios (reaction kinetics and operation
modes). The program considers reactor performance for biocatalysts having the most
common enzyme kinetics (Michaelis-Menten, competitive and non-competitive inhibition
by product and uncompetitive inhibition by substrate) and operating in usual reactor
configurations (BSTR, CPBR and CSTR). The program also allows incorporating the
effect of external diffusional restrictions (EDR) or catalyst inactivation during reactor
operation. Figure 1 shows the interface of epsilon.

Using Epsilon The use of epsilon is straightforward. and then press the update button again. as. a scheme showing the selected kinetic mechanism should appear. input the value of the corresponding inactivation parameters (see Chapter 6). A scheme of the inactivation mechanism will appear if this option is selected. iii. After that. The former is defined by Equation (3. the latter is defined as: aP ¼ V 0max K P  hP (1) where KP is the inhibition constant by product and hP is the film volumetric mass transfer coefficient for product.1 for the corresponding kinetics and reactor mode of operation. choose the reactor configuration and the plot type desired to show the reactor performance. To plot reactor performance under the determined conditions. press the “update” button. The effect of EDR on reactor behavior is simulated using the . (in the case of product inhibition). Then input the value of the model parameters into the bottom table. If EDR is selected.15). If enzyme inactivation is taken into account. you will need to repeat the process choosing the new operational conditions. and product. First. Press the “clear plots” button to reset the program. it is possible to include the effect of EDR and enzyme inactivation in the simulation. introduce the value of the Damkoehler number for substrate. To simulate the reactor operation under ideal conditions. To compare this condition with another. select reaction kinetics. epsilon will solve the mathematical expressions presented in Table 4.xxii Epsilon Software Information Figure 1 epsilon interface. Furthermore. ap.

This software has been developed using Matlab and Matlab Compiler which can be found at the Mathworks website http://www. Again. it is assumed that.uk/products/compiler/mcr/ . For the simulation of biocatalyst deactivation.9). epsilon will solve Equation (6. For a batch reactor. In the case of continuous reactors.2) and (6. the corresponding system of two equations will be solved using Newton’s Method (see Appendix A). mass transfer rate and reaction rate should be equal at the catalyst surface.4).7). at steady-state.Epsilon Software Information xxiii corresponding Equations (5. inactivation kinetics is incorporated into Equation (4.mathworks. So.7) to (5. similarly as shown by Equation (6.16) for a set of given times ranging from zero to final reaction time.co. To calculate the effectiveness factor.3)). the program considers a two-stage series mechanism (see Equations (6. when product inhibition is considered. The resulting differential equation will be solved by numerical integration. the former Equation will be solved using Newton’s Method (see Appendix A).