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AspirinModel is a python software developed by an undergraduate Chemical Engineering student in order to simulate different aspects of a Continuous Stirr Tank Reactor (CSTR), patching together my understanding of different fundamental concepts. The project aims at creating a model that approximates the real world physics of running a CSTR reactor. The project will be looking at the industrial process at synthesizing Aspirin starting from Acetic Anhydride and Salicylic Acid under an acid catalyst.
The purpose of the project is the development of a comprehensive software model of a CSTR that can predict the production of Aspirin and adapt to changes in reaction conditions, giving results in the form of graphs, helping out reactor designers in choosing optimal conditions for the industrial level reaction.
The model must be able to visualize data of physical quantities on graphs including Maxwell-Boltzman Distribution, Operating Cost, Molar Flow of Aspirin at the outlet and the Time extinction coefficient The model won't consider non-steady state, non-idealized reactors or recycle streams, additionally the model is only focused on material flows through the CSTR stage of the industrial production so won't consider any flows outside the CSTR stage.
A few limitations can be pointed out such as:
- Lack of real world kinetic data therefore inaccurate constants must be assumed, or alternatively constants from similar esterification reactions should be taken.
- Considering only idealized conditions makes the model inaccurate to the majority of real world scenarios.
- Heat transfers and Mass transfers are not considered.
- Maxwell-Boltzman distribution is only considered in one plane of motion.
- Real world prices are not reflected and only an apporximation is used
This project was a self assigned endevour aimed at developing understanding and skills in python, Data Visualization, Physical Chemistry, Organic Chemistry, Engineering Concepts, Project Management, Research Skills, Problem Solving aswell as Documentation and Reporting. The creator of the project is an undergraduate student (A. G. Rios Frattaroli) at the University of Groningen in The Netherlands studying Bsc Chemical Engineering. LinkedIn : https://linkedin.com/in/allan-rios-38434b364