Dynamic simulation of a compact sorption-enhanced water-gas shift reactor
This work presents the dynamic simulation of a novel sorption-enhanced water-gas shift reactor used for synthesis gas production from pure CO in an e-fuels synthesis process. Due to the intended decentralized plant installation associated with fluctuating feed, process intensification and a compact...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2022-10-01
|
| Series: | Frontiers in Chemical Engineering |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fceng.2022.1000064/full |
| _version_ | 1811338213564874752 |
|---|---|
| author | Tabea J. Stadler Laila J. Bender Peter Pfeifer |
| author_facet | Tabea J. Stadler Laila J. Bender Peter Pfeifer |
| author_sort | Tabea J. Stadler |
| collection | DOAJ |
| description | This work presents the dynamic simulation of a novel sorption-enhanced water-gas shift reactor used for synthesis gas production from pure CO in an e-fuels synthesis process. Due to the intended decentralized plant installation associated with fluctuating feed, process intensification and a compact reactor system is required. An optimized operating procedure was obtained by simulation-driven process design to maximize the sorbent loading and operate the process as efficient as possible. The process simulation is based on a simplified heterogeneous packed bed reactor model. The model accounts for simultaneous water-gas shift (WGS) reaction on a Cu-based catalyst and CO2 adsorption on a K-impregnated hydrotalcite-derived mixed oxide as well as subsequent desorption. An empirical rate expression was chosen to describe the water-gas shift reaction according to experimental data at 250°C. Breakthrough experiments were performed and used to adapt kinetic adsorption (pressure: 8 bar) and desorption (pressure: 1 bar) parameters. The experimental CO2 sorption equilibrium isotherm was fitted with the Freundlich model. The reactor model was extended to a complex hybrid system scale model for the pilot plant reactor consisting of six individually accessible reaction chambers. Cyclic operation with automatized switching time adjustment was accomplished by a finite state machine. A case study exploited the benefits of a serial process configuration of reaction chambers. It could be shown that the sorbent loading can be remarkably increased through optimized operating strategies depending on the process conditions. Hence, the development of the hybrid model marks a crucial step towards the planned pilot plant operation and control. |
| first_indexed | 2024-04-13T18:07:22Z |
| format | Article |
| id | doaj.art-95a8eba53417402b9fa1238ecd073eb8 |
| institution | Directory Open Access Journal |
| issn | 2673-2718 |
| language | English |
| last_indexed | 2024-04-13T18:07:22Z |
| publishDate | 2022-10-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Chemical Engineering |
| spelling | doaj.art-95a8eba53417402b9fa1238ecd073eb82022-12-22T02:36:01ZengFrontiers Media S.A.Frontiers in Chemical Engineering2673-27182022-10-01410.3389/fceng.2022.10000641000064Dynamic simulation of a compact sorption-enhanced water-gas shift reactorTabea J. StadlerLaila J. BenderPeter PfeiferThis work presents the dynamic simulation of a novel sorption-enhanced water-gas shift reactor used for synthesis gas production from pure CO in an e-fuels synthesis process. Due to the intended decentralized plant installation associated with fluctuating feed, process intensification and a compact reactor system is required. An optimized operating procedure was obtained by simulation-driven process design to maximize the sorbent loading and operate the process as efficient as possible. The process simulation is based on a simplified heterogeneous packed bed reactor model. The model accounts for simultaneous water-gas shift (WGS) reaction on a Cu-based catalyst and CO2 adsorption on a K-impregnated hydrotalcite-derived mixed oxide as well as subsequent desorption. An empirical rate expression was chosen to describe the water-gas shift reaction according to experimental data at 250°C. Breakthrough experiments were performed and used to adapt kinetic adsorption (pressure: 8 bar) and desorption (pressure: 1 bar) parameters. The experimental CO2 sorption equilibrium isotherm was fitted with the Freundlich model. The reactor model was extended to a complex hybrid system scale model for the pilot plant reactor consisting of six individually accessible reaction chambers. Cyclic operation with automatized switching time adjustment was accomplished by a finite state machine. A case study exploited the benefits of a serial process configuration of reaction chambers. It could be shown that the sorbent loading can be remarkably increased through optimized operating strategies depending on the process conditions. Hence, the development of the hybrid model marks a crucial step towards the planned pilot plant operation and control.https://www.frontiersin.org/articles/10.3389/fceng.2022.1000064/fullsorption-enhanced water-gas shift reactiondynamic simulationMATLAB Simulink Stateflowexperimental model validationsimulation-driven process optimizationmicro-structured reactor design |
| spellingShingle | Tabea J. Stadler Laila J. Bender Peter Pfeifer Dynamic simulation of a compact sorption-enhanced water-gas shift reactor Frontiers in Chemical Engineering sorption-enhanced water-gas shift reaction dynamic simulation MATLAB Simulink Stateflow experimental model validation simulation-driven process optimization micro-structured reactor design |
| title | Dynamic simulation of a compact sorption-enhanced water-gas shift reactor |
| title_full | Dynamic simulation of a compact sorption-enhanced water-gas shift reactor |
| title_fullStr | Dynamic simulation of a compact sorption-enhanced water-gas shift reactor |
| title_full_unstemmed | Dynamic simulation of a compact sorption-enhanced water-gas shift reactor |
| title_short | Dynamic simulation of a compact sorption-enhanced water-gas shift reactor |
| title_sort | dynamic simulation of a compact sorption enhanced water gas shift reactor |
| topic | sorption-enhanced water-gas shift reaction dynamic simulation MATLAB Simulink Stateflow experimental model validation simulation-driven process optimization micro-structured reactor design |
| url | https://www.frontiersin.org/articles/10.3389/fceng.2022.1000064/full |
| work_keys_str_mv | AT tabeajstadler dynamicsimulationofacompactsorptionenhancedwatergasshiftreactor AT lailajbender dynamicsimulationofacompactsorptionenhancedwatergasshiftreactor AT peterpfeifer dynamicsimulationofacompactsorptionenhancedwatergasshiftreactor |