Variations of the shrinking core model for effective kinetics modeling of the gas hydrate-based CO2 capture process

Hossein Dashti, Daniel Thomas, Amirpiran Amiri, Xia Lou

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

The hydrate-based carbon dioxide (CO 2) capture (HBCC) process has been widely studied for CO 2 separation and sequestration. This paper aims to conduct a model-based investigation of the kinetics of the HBCC process. A variation of the shrinking core model (SCM) was developed for the analysis of this heterogeneous system under varying boundary conditions. The results revealed that while CO 2 diffusion through the hydrate layer is the dominant controlling mechanism, for a realistic scenario in which a time-dependent bulk gas concentration exists, the model results would better match the experimental data if the effects of the reaction rate were incorporated into the diffusion-based model. Sensitivity analysis showed that increasing the diffusivity through the hydrate layer significantly decreases the full conversion time of the water. Moreover, the effect of temperature change was investigated, and it was found that lower temperatures slow the hydrate growth rate. The model was demonstrated to be a computationally effective and time-efficient predictive tool that does not require high-speed computers for large-scale (reactor) applications.

Original languageEnglish
Title of host publication29th European Symposium on Computer Aided Process Engineering
EditorsAnton Kiss, Edwin Zondervan, Richard Lakerveld, Leyla Özkan
PublisherElsevier
Pages1687-1692
Number of pages6
ISBN (Print)9780128186343
DOIs
Publication statusPublished - 3 Jul 2019

Publication series

NameComputer Aided Chemical Engineering
Volume46
ISSN (Print)1570-7946

Fingerprint

Gas hydrates
Hydrates
Carbon Monoxide
Kinetics
Carbon Dioxide
Sensitivity analysis
Reaction rates
Carbon dioxide
Gases
Boundary conditions
Temperature
Water

Keywords

  • CO capture
  • gas hydrate
  • shrinking core model

Cite this

Dashti, H., Thomas, D., Amiri, A., & Lou, X. (2019). Variations of the shrinking core model for effective kinetics modeling of the gas hydrate-based CO2 capture process. In A. Kiss, E. Zondervan, R. Lakerveld, & L. Özkan (Eds.), 29th European Symposium on Computer Aided Process Engineering (pp. 1687-1692). (Computer Aided Chemical Engineering; Vol. 46). Elsevier. https://doi.org/10.1016/B978-0-12-818634-3.50282-4
Dashti, Hossein ; Thomas, Daniel ; Amiri, Amirpiran ; Lou, Xia. / Variations of the shrinking core model for effective kinetics modeling of the gas hydrate-based CO2 capture process. 29th European Symposium on Computer Aided Process Engineering. editor / Anton Kiss ; Edwin Zondervan ; Richard Lakerveld ; Leyla Özkan. Elsevier, 2019. pp. 1687-1692 (Computer Aided Chemical Engineering).
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Dashti, H, Thomas, D, Amiri, A & Lou, X 2019, Variations of the shrinking core model for effective kinetics modeling of the gas hydrate-based CO2 capture process. in A Kiss, E Zondervan, R Lakerveld & L Özkan (eds), 29th European Symposium on Computer Aided Process Engineering. Computer Aided Chemical Engineering, vol. 46, Elsevier, pp. 1687-1692. https://doi.org/10.1016/B978-0-12-818634-3.50282-4

Variations of the shrinking core model for effective kinetics modeling of the gas hydrate-based CO2 capture process. / Dashti, Hossein ; Thomas, Daniel; Amiri, Amirpiran; Lou, Xia.

29th European Symposium on Computer Aided Process Engineering. ed. / Anton Kiss; Edwin Zondervan; Richard Lakerveld; Leyla Özkan. Elsevier, 2019. p. 1687-1692 (Computer Aided Chemical Engineering; Vol. 46).

Research output: Chapter in Book/Report/Conference proceedingChapter

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T1 - Variations of the shrinking core model for effective kinetics modeling of the gas hydrate-based CO2 capture process

AU - Dashti, Hossein

AU - Thomas, Daniel

AU - Amiri, Amirpiran

AU - Lou, Xia

PY - 2019/7/3

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N2 - The hydrate-based carbon dioxide (CO 2) capture (HBCC) process has been widely studied for CO 2 separation and sequestration. This paper aims to conduct a model-based investigation of the kinetics of the HBCC process. A variation of the shrinking core model (SCM) was developed for the analysis of this heterogeneous system under varying boundary conditions. The results revealed that while CO 2 diffusion through the hydrate layer is the dominant controlling mechanism, for a realistic scenario in which a time-dependent bulk gas concentration exists, the model results would better match the experimental data if the effects of the reaction rate were incorporated into the diffusion-based model. Sensitivity analysis showed that increasing the diffusivity through the hydrate layer significantly decreases the full conversion time of the water. Moreover, the effect of temperature change was investigated, and it was found that lower temperatures slow the hydrate growth rate. The model was demonstrated to be a computationally effective and time-efficient predictive tool that does not require high-speed computers for large-scale (reactor) applications.

AB - The hydrate-based carbon dioxide (CO 2) capture (HBCC) process has been widely studied for CO 2 separation and sequestration. This paper aims to conduct a model-based investigation of the kinetics of the HBCC process. A variation of the shrinking core model (SCM) was developed for the analysis of this heterogeneous system under varying boundary conditions. The results revealed that while CO 2 diffusion through the hydrate layer is the dominant controlling mechanism, for a realistic scenario in which a time-dependent bulk gas concentration exists, the model results would better match the experimental data if the effects of the reaction rate were incorporated into the diffusion-based model. Sensitivity analysis showed that increasing the diffusivity through the hydrate layer significantly decreases the full conversion time of the water. Moreover, the effect of temperature change was investigated, and it was found that lower temperatures slow the hydrate growth rate. The model was demonstrated to be a computationally effective and time-efficient predictive tool that does not require high-speed computers for large-scale (reactor) applications.

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A2 - Zondervan, Edwin

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PB - Elsevier

ER -

Dashti H, Thomas D, Amiri A, Lou X. Variations of the shrinking core model for effective kinetics modeling of the gas hydrate-based CO2 capture process. In Kiss A, Zondervan E, Lakerveld R, Özkan L, editors, 29th European Symposium on Computer Aided Process Engineering. Elsevier. 2019. p. 1687-1692. (Computer Aided Chemical Engineering). https://doi.org/10.1016/B978-0-12-818634-3.50282-4