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Modeling and simulation of chromatographic separation in Modelon Impact

Thelander, Oliver LU (2022) KETM05 20212
Chemical Engineering (M.Sc.Eng.)
Abstract
The aim of this master thesis is to implement a previously modeled chromatographic adsorp-tion process from MatLab into the Modelon Impact, a simulation software. Modelon Impact is using Modelica as language syntax that is useful for creating a large system of interconnected models that has the potential to work in different configurations. The model is successfully implemented and done in a step-wise manner. The comparison between the two simulations are near flawless, but some variations can be seen as load time of the column increases. While not conclusively deduced, the problem most likely lies in how the two different solvers work.
Another aim is to use the functionality of Modelica and create different models in order to create a... (More)
The aim of this master thesis is to implement a previously modeled chromatographic adsorp-tion process from MatLab into the Modelon Impact, a simulation software. Modelon Impact is using Modelica as language syntax that is useful for creating a large system of interconnected models that has the potential to work in different configurations. The model is successfully implemented and done in a step-wise manner. The comparison between the two simulations are near flawless, but some variations can be seen as load time of the column increases. While not conclusively deduced, the problem most likely lies in how the two different solvers work.
Another aim is to use the functionality of Modelica and create different models in order to create a more accurate setup seen during laborative trials. These models range from the column and pump that have previously been modeled in the original MatLab code to controllers, valves and tubing that reflect real experimental setups. The interconnectivity between models are successful, but due to variable overlap some setups had to be altered in order to complete the simulations.
While Impact has proved to be more than capable to simulate chromatographic processes and handle user-created sub-models, there is still room for investigation of it as a tool for finding parameters or handling more complex models. (Less)
Abstract (Swedish)
Syftet med denna masteruppsats är att implementera en tidigare modellerad kromatografisk adsorptionsprocess från MatLab till Modelon Impact, en simuleringsmjukvara. Modelon Im-pact använder sig av Modelica som syntax som i sin tur är användbart för skapandet av stora system av sammankopplade modeller som kan fungera i olika konfigurationer. Implemente-ringen är lyckad och gjord stegvis under projektet. Jämförelse mellan de två modellerna är nästan perfekt men mindre variationer kan observeras vid höga laddningstider av kolonnen. Medan det inte är helt fastställt ligger troligtvis skillnaden i resultat i hur de olika lösarna fun-gerar.
Ett annat syfte är att använda Modelicas funktionalitet och skapa olika modeller för att skapa ett mer... (More)
Syftet med denna masteruppsats är att implementera en tidigare modellerad kromatografisk adsorptionsprocess från MatLab till Modelon Impact, en simuleringsmjukvara. Modelon Im-pact använder sig av Modelica som syntax som i sin tur är användbart för skapandet av stora system av sammankopplade modeller som kan fungera i olika konfigurationer. Implemente-ringen är lyckad och gjord stegvis under projektet. Jämförelse mellan de två modellerna är nästan perfekt men mindre variationer kan observeras vid höga laddningstider av kolonnen. Medan det inte är helt fastställt ligger troligtvis skillnaden i resultat i hur de olika lösarna fun-gerar.
Ett annat syfte är att använda Modelicas funktionalitet och skapa olika modeller för att skapa ett mer rättvist system som återspeglar laborativa försök. Dessa modeller sträcker sig från ko-lonn och pump som redan var modellerade i MatLab till kontroller, ventiler och rör för att ef-terlikna verkligheten. Sammankopplingen mellan alla modeller är överlag lyckad, men på grund av variabelöverlapp behövdes några system justeras för att fullständigt kunna simuleras.
Medan Impact har visat sig vara mer är kapabel för att simulera kromatografiska processer och hantera självskapade modeller finns det fortfarande utrymma för vidare arbete som ett verktyg för parameteranpassning eller hantering av mer komplexa modeller (Less)
Popular Abstract
Modelon Impact is a powerful modeling and simulation software primarily used in the ener-gy, automotive and aerospace industry. Would it be equally useful in the simulation of chro-matographic processes compared to conventional tools?
Adsorption chromatography and the simulation of it is one of the many focuses at the depart-ment of chemical engineering at Lund University. During adsorption chromatography, a col-umn filled with small porous beads, called the stationary phase, is loaded with a feed contain-ing adsorbing components, called the mobile phase. The components in the feed adsorb onto the stationary phase and are eluted with a rising salt concentration fed through the column, resulting in a separation between the components based... (More)
Modelon Impact is a powerful modeling and simulation software primarily used in the ener-gy, automotive and aerospace industry. Would it be equally useful in the simulation of chro-matographic processes compared to conventional tools?
Adsorption chromatography and the simulation of it is one of the many focuses at the depart-ment of chemical engineering at Lund University. During adsorption chromatography, a col-umn filled with small porous beads, called the stationary phase, is loaded with a feed contain-ing adsorbing components, called the mobile phase. The components in the feed adsorb onto the stationary phase and are eluted with a rising salt concentration fed through the column, resulting in a separation between the components based on their binding strength.
This process is currently modeled and simulated in MatLab and Python, but this thesis aims to model the same process in Modelon Impact, a simulation software using the language Modeli-ca. A feature of Modelon Impact that will be examined is the creation, connection and reuse of models, where models can be linked together in a visually accessible environment. And finally, is there a future use case of Modelon Impact for chromatographic processes.
The model implementation and the possibility to create and link many models to mimic a la-boratory setup were both successful. While the simulation was near flawless between the old simulations and the new in Modelon Impact, there arose some small differences that were more pronounced at high parameter values regarding column load time and starting salt con-centration. This variation might have been a result of how the internal solvers work for each simulation environment, ode15s in MatLab and CVode in Modelon Impact.
Both models show similar simulation times between 1-5 seconds where Modelon Impact was consistently longer than MatLab. While this looks bad for Modelon Impact, MatLab requires sparse matrices that would otherwise drastically increase simulation time. Modelon Impact does not require these sparse matrices at all. The discretization size is also a factor for simula-tion time. While kept relatively low in this thesis, this is also something that increase more for MatLab than for Modelon Impact as a result of Modelon Impact only have to compile the model once, and if changes that do not affect the compiled structure is done to Modelon Im-pact then the simulation can be done in more rapid successions.
Modelon Impact has shown to be more than capable to model and simulate chromatographic processes but discovery within the software is not done. The software has experimentation mode where parameters can be temporarily changed and allow for parameter sweeps, the in-Stream operator that handles flow-specific variables and evolved models that might otherwise drastically increase simulation time in other programming environments. (Less)
Please use this url to cite or link to this publication:
author
Thelander, Oliver LU
supervisor
organization
course
KETM05 20212
year
type
H2 - Master's Degree (Two Years)
subject
keywords
Chemical engineering, Simulering, Modellering, Kromatografi, Adsorption, Modelica, Modelon Impact, Recirkulation, Simulation, Modeling, Chromatography, Recirculation
language
English
id
9096015
date added to LUP
2022-08-26 13:44:50
date last changed
2022-08-26 13:44:50
@misc{9096015,
  abstract     = {{The aim of this master thesis is to implement a previously modeled chromatographic adsorp-tion process from MatLab into the Modelon Impact, a simulation software. Modelon Impact is using Modelica as language syntax that is useful for creating a large system of interconnected models that has the potential to work in different configurations. The model is successfully implemented and done in a step-wise manner. The comparison between the two simulations are near flawless, but some variations can be seen as load time of the column increases. While not conclusively deduced, the problem most likely lies in how the two different solvers work.
Another aim is to use the functionality of Modelica and create different models in order to create a more accurate setup seen during laborative trials. These models range from the column and pump that have previously been modeled in the original MatLab code to controllers, valves and tubing that reflect real experimental setups. The interconnectivity between models are successful, but due to variable overlap some setups had to be altered in order to complete the simulations.
While Impact has proved to be more than capable to simulate chromatographic processes and handle user-created sub-models, there is still room for investigation of it as a tool for finding parameters or handling more complex models.}},
  author       = {{Thelander, Oliver}},
  language     = {{eng}},
  note         = {{Student Paper}},
  title        = {{Modeling and simulation of chromatographic separation in Modelon Impact}},
  year         = {{2022}},
}