Multi-scale model based design of membrane reactor/separator processes for intensified hydrogen production through the water gas shift reaction

Karagöz, Seçgin; Tsotsis, Theodore T.; Manousiouthakis, Vasilios I.

doi:10.1016/j.ijhydene.2019.05.118

Title: Multi-scale model based design of membrane reactor/separator processes for intensified hydrogen production through the water gas shift reaction

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Abstract

This work aims to first quantify the impact of various diffusion models (Maxwell-Stefan, Wilke, Dusty-Gas) on the predictions of a multi-scale membrane reactor/separator mathematical model, and to then demonstrate this model's use for the design and process intensification of membrane reactor/separator systems for hydrogen production. This multi-scale model captures velocity, temperature and species' concentration profiles along the catalyst pellet's radial direction, and along the reactor's axial direction, by solving the momentum, energy, and species transport equations, accounting for convection, conduction, reaction, and diffusion mechanisms. In the first part of work, the effect of pelletscale design parameters (mean pore diameter, volumetric porosity, tortuosity factor, etc.) and various species' flux models on the model predictions is studied. In the second part, the study focuses on the comparison, in terms of their process intensification characteristics, of various hydrogen production processes. These include a conventional hightemperature shift reactor (HTSR)/low-temperature shift reactor (LTSR) sequence, a novel HTSR/membrane separator (MS)/LTSR/MS sequence, and a process that involves low temperature shift membrane reactors-LTSMR in a series.

Authors:

Karagöz, Seçgin ^[1]; Tsotsis, Theodore T. ^[2]; Manousiouthakis, Vasilios I. ^[1]

Bursa Technical University (Turkey)
Univ. of Southern California, Los Angeles, CA (United States)

Publication Date:: Wed Feb 12 00:00:00 EST 2020

Research Org.:: Univ. of Southern California, Los Angeles, CA (United States)

Sponsoring Org.:: USDOE Office of Fossil Energy (FE); USDOE

OSTI Identifier:: 1799841

Alternate Identifier(s):: OSTI ID: 1600587; OSTI ID: 2329324

Grant/Contract Number:: FE0026423; FE0031737

Resource Type:: Accepted Manuscript

Journal Name:: International Journal of Hydrogen Energy

Additional Journal Information:: Journal Volume: 45; Journal Issue: 12; Journal ID: ISSN 0360-3199

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 08 HYDROGEN; Chemistry; Electrochemistry; Energy & Fuels; Membrane; Reactor; Dusty-Gas; Multiscale; Water gas shift reaction (WGSR)

Citation Formats


                    Karagöz, Seçgin, Tsotsis, Theodore T., and Manousiouthakis, Vasilios I. Multi-scale model based design of membrane reactor/separator processes for intensified hydrogen production through the water gas shift reaction.  United States: N. p., 2020. 
Web.  doi:10.1016/j.ijhydene.2019.05.118.

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                    Karagöz, Seçgin, Tsotsis, Theodore T., & Manousiouthakis, Vasilios I. Multi-scale model based design of membrane reactor/separator processes for intensified hydrogen production through the water gas shift reaction.  United States.  https://doi.org/10.1016/j.ijhydene.2019.05.118

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                    Karagöz, Seçgin, Tsotsis, Theodore T., and Manousiouthakis, Vasilios I. Wed .  
"Multi-scale model based design of membrane reactor/separator processes for intensified hydrogen production through the water gas shift reaction".  United States.  https://doi.org/10.1016/j.ijhydene.2019.05.118.  https://www.osti.gov/servlets/purl/1799841.

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@article{osti_1799841,

  title        = {Multi-scale model based design of membrane reactor/separator processes for intensified hydrogen production through the water gas shift reaction},

  author       = {Karagöz, Seçgin and Tsotsis, Theodore T. and Manousiouthakis, Vasilios I.},

  abstractNote = {This work aims to first quantify the impact of various diffusion models (Maxwell-Stefan, Wilke, Dusty-Gas) on the predictions of a multi-scale membrane reactor/separator mathematical model, and to then demonstrate this model's use for the design and process intensification of membrane reactor/separator systems for hydrogen production. This multi-scale model captures velocity, temperature and species' concentration profiles along the catalyst pellet's radial direction, and along the reactor's axial direction, by solving the momentum, energy, and species transport equations, accounting for convection, conduction, reaction, and diffusion mechanisms. In the first part of work, the effect of pelletscale design parameters (mean pore diameter, volumetric porosity, tortuosity factor, etc.) and various species' flux models on the model predictions is studied. In the second part, the study focuses on the comparison, in terms of their process intensification characteristics, of various hydrogen production processes. These include a conventional hightemperature shift reactor (HTSR)/low-temperature shift reactor (LTSR) sequence, a novel HTSR/membrane separator (MS)/LTSR/MS sequence, and a process that involves low temperature shift membrane reactors-LTSMR in a series.},

  doi          = {10.1016/j.ijhydene.2019.05.118},

  journal      = {International Journal of Hydrogen Energy},

  number       = 12,

  volume       = 45,

  place        = {United States},

  year         = {Wed Feb 12 00:00:00 EST 2020},

  month        = {Wed Feb 12 00:00:00 EST 2020}

}

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