Mathematical modeling of a moving bed reactor for post‐combustion CO<sub>2</sub> capture

Diamine-appended metal-organic frameworks exhibiting step-shaped CO2 adsorption are exceptional candidates for energy-efficient carbon capture. However, there are few studies examining their performance in real-world capture scenarios, in part due to the challenge inherent in modeling their CO2 uptake behavior. Here, we develop a dual-site Sips model to fit experimental CO2 adsorption data for dmpn-Mg2(dobpdc) (dmpn = 2,2-dimethyl-1,3-diaminopropane; dobpdc 4-= 4,4′-dioxidobiphenyl-3,3′-dicarboxylate) and develop a linear driving force model for the adsorption kinetics based on available experimental data. These models are used to develop a dynamic, fixed bed, non-isothermal contactor model using shaped particles of the material, which is validated with experimental breakthrough data. We also examine the effects of the high heat of adsorption of the material on CO2 uptake performance and find that heat removal is essential to maximize capture performance. We finally investigate "basic" (no bed cooling during adsorption) and "modified" (bed cooling during adsorption) temperature swing adsorption (TSA) processes using dmpn-Mg2(dobpdc) and their process economics are compared to a state-of-the-art monoethanolamine (MEA) capture system, with and without heat recovery. In the absence of heat recovery, the adsorbent systems are more costly than established technology. However, with 85% heat recovery, both adsorbent-based TSA processes are projected to cost less than the MEA system. This work highlights that thermal management is vital for implementation of dmpn-Mg2(dobpdc) as a viable CO2 capture technology. Investigation of other contactor technologies that can provide unique ways to manage system heat represent promising future areas of study.

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“…Similar configurations can be found in the modeling studies performed by Kim et al 25 and Kotamreddy et al 26 .…”

Section: Embedded Heat Exchangersupporting

confidence: 87%

Isotherm, Kinetic, Process Modeling, and Techno-Economic Analysis of a Diamine-Appended Metal–Organic Framework for CO₂ Capture Using Fixed Bed Contactors

et al. 2021

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“…127,128 The gas−solid reactors can be categorized in two different regimes: (i) the axial flow regime (cocurrent and countercurrent) 129 and (ii) the cross-flow pattern. 171,174 The limitations of the gas−solid heat exchanging process convinced researchers to find an efficient strategy to enhance the heat transfer rate in this process. 175 In this way, the gas−solid interaction in the MBRs was proposed to obviate the existing problem through the heat exchanging process.…”

Section: Theoretical Studiesmentioning

confidence: 99%

Moving Bed Reactors: Challenges and Progress of Experimental and Theoretical Studies in a Century of Research

Shirzad

Karimi

Silva

et al. 2019

Ind. Eng. Chem. Res.

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Moving bed reactors (MBRs) have been proposed as a sign of significant progress in the reaction engineering area for performance improving and energy saving. Since their advent in 1890, the MBRs have attracted a wide acceptance in different industries, while they were first developed for the drying industries. The progress that this technology has made during its evolution led to the introduction of these reactors as a pioneer strategy in other industries including petroleum, petrochemical, pyrolysis, and biomass industries. In the traditional reaction systems, the process performance decreases during the operational conditions, while MBRs have obviated this drawback by having an all-around permanent acceptable efficiency. In this context, the present work provides an overview on the evolution of MBRs by investigating the main experimental and theoretical studies. In this way, the experimental studies have typically taken into account operational conditions and production rates of different products, while in the theoretical research, modeling, and simulation of conventional processes, the evaluation of novel configurations and the optimization techniques have been investigated. In the end, some suggestions are proposed to modify the traditional MBRs as helpful ideas for further studies.

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“…It was desired to compare the difference between the integral and inline compressors for the typical compressor feed from the post-combustion CO 2 capture processes. Table 6 shows the inlet and outlet conditions of compressors for a solid sorbent-based CO 2 capture process (Modekurti et al, 2013;Kim et al, 2016;Miller et al, 2014;Lee and Miller, 2012). The CO 2 stream represents about half of the total flow from the capture process.…”

Section: Comparison Of Compressor Typesmentioning

confidence: 99%

Design, dynamic modeling, and control of a multistage CO2 compression system

Modekurti

Eslick

Omell

et al. 2017

International Journal of Greenhouse Gas Control

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This paper presents a comprehensive model of a post-combustion CO 2 compression system that uses a multistage centrifugal compressor train to take the CO 2-rich gas from the regenerator of a CO 2 capture system and compress it to the supercritical conditions required for pipeline transport. The compression system model includes inter-stage coolers, flash vessels, glycol tower for water removal, and the CO 2 inventory of the associated system. Both inline and integral gear compressors are designed using dimensionless numbers and appropriate design constraints. The steady-state integral gear compressor model is validated against industrial compressor performance data provided by a commercial CO 2 compressor manufacturer. Its performance is also compared to the performance of an inline compressor model using a typical feed stream from a post-combustion CO 2 capture process. Performance curves using dimensionless exit flow coefficient and isentropic head coefficient are used for simulating off-design performance of the integral gear compressor. To avoid surge during operation, a controller has been designed. Transients of key process variables in response to various disturbances have been studied.

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Mathematical modeling of a moving bed reactor for post‐combustion CO₂ capture

Cited by 20 publications

References 28 publications

Isotherm, Kinetic, Process Modeling, and Techno-Economic Analysis of a Diamine-Appended Metal–Organic Framework for CO₂ Capture Using Fixed Bed Contactors

Isotherm, Kinetic, Process Modeling, and Techno-Economic Analysis of a Diamine-Appended Metal–Organic Framework for CO₂ Capture Using Fixed Bed Contactors

Moving Bed Reactors: Challenges and Progress of Experimental and Theoretical Studies in a Century of Research

Design, dynamic modeling, and control of a multistage CO2 compression system

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Mathematical modeling of a moving bed reactor for post‐combustion CO2 capture

Cited by 20 publications

References 28 publications

Isotherm, Kinetic, Process Modeling, and Techno-Economic Analysis of a Diamine-Appended Metal–Organic Framework for CO2 Capture Using Fixed Bed Contactors

Isotherm, Kinetic, Process Modeling, and Techno-Economic Analysis of a Diamine-Appended Metal–Organic Framework for CO2 Capture Using Fixed Bed Contactors

Moving Bed Reactors: Challenges and Progress of Experimental and Theoretical Studies in a Century of Research

Design, dynamic modeling, and control of a multistage CO2 compression system

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Product

Resources

About

Mathematical modeling of a moving bed reactor for post‐combustion CO₂ capture

Isotherm, Kinetic, Process Modeling, and Techno-Economic Analysis of a Diamine-Appended Metal–Organic Framework for CO₂ Capture Using Fixed Bed Contactors

Isotherm, Kinetic, Process Modeling, and Techno-Economic Analysis of a Diamine-Appended Metal–Organic Framework for CO₂ Capture Using Fixed Bed Contactors