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GAMS code for: Reactor network synthesis of enzymatic cascades using superstructure optimization
Citation Link: https://doi.org/10.15480/882.17321
Type
Software
Date Issued
2026-06-16
Language
English
TORE-DOI
Abstract
This repository contains the GAMS optimization scripts and include files used to implement a nonlinear programming (NLP) framework for superstructure-based reactor network synthesis.
The framework handles flexible network configurations combining Continuous Stirred-Tank Reactors (CSTR) and tubular Cross-Flow Reactors (CFR) without relying on binary or integer choices. The implementation includes scripts for framework validation via the classical Van de Vusse reaction network and application to a multi-enzyme cascade following the oxidative Weimberg pathway.
The framework handles flexible network configurations combining Continuous Stirred-Tank Reactors (CSTR) and tubular Cross-Flow Reactors (CFR) without relying on binary or integer choices. The implementation includes scripts for framework validation via the classical Van de Vusse reaction network and application to a multi-enzyme cascade following the oxidative Weimberg pathway.
Subjects
Reactor Network
nonlinear programming
General Algebraic Modeling System
Enzymatic Cascades
Reaction Engineering
Superstructure Optimization
Weimberg Pathway
Van de Vusse Reaction
Radau Collocation
DDC Class
660.2: Chemical Engineering
More Funding Information
Financial support from the Collaborative Research Center (CRC) “SMART Reactors for Future Process Engineering,” funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) — project number 503850735 — at the Hamburg University of Technology (TUHH), is gratefully acknowledged.
License
Technical information
The README file provides an overview of the codebase and instructions for running the simulations.
Van_de_Vusse.zip: Contains all the code required to run the Van de Vusse case study and reproduce the results.
Weimberg.zip: Contains all the code required to run the Weimberg case study and reproduce the results.
Van_de_Vusse.zip: Contains all the code required to run the Van de Vusse case study and reproduce the results.
Weimberg.zip: Contains all the code required to run the Weimberg case study and reproduce the results.
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Van de Vusse.zip
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README.pdf
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135.2 KB
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Weimberg.zip
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8.74 KB
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