Innovative Computational Tools and Models for the Design, Optimization and Control of Carbon Capture Processes

Miller, David C.

doi:10.1002/9781119106418.ch12

Cited by 7 publications

(4 citation statements)

References 35 publications

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“…To analyze the performance of a counter‐current moving bed for commercial‐scale CO 2 capture applications, the DOE's Carbon Capture Simulation Initiative (CCSI) is using modeling and simulation to investigate tradeoffs between various design alternatives, process operating conditions, and sorbent types. CCSI is a partnership among DOE laboratories, industry, and universities that is developing, demonstrating, and deploying a suite of computations tools to be used by industry to accelerate the deployment of post‐combustion carbon capture technologies in power generation applications . Recently, CCSI researchers have developed a general one‐dimensional, three region model for a solid sorbent‐based CO 2 capture process using a bubbling fluidized bed adsorber reactor .…”

Section: Introductionmentioning

confidence: 99%

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

et al. 2016

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A mathematical model for a moving bed reactor with embedded heat exchanger has been developed for application to solid sorbent-based capture of carbon dioxide from flue gas emitted by coal-fired power plants. The reactor model is one-dimensional, non-isothermal, and pressure-driven. The two-phase (gas and solids) model includes rigorous kinetics and heat and mass transfer between the two phases. Flow characteristics of the gas and solids in the moving bed are obtained by analogy with correlations for fixed and fluidized bed systems. From the steady-state perspective, this work presents the impact of key design variables that can be used for optimization. From the dynamic perspective, the article shows transient profiles of key outputs that should be taken into account while designing an effective control system. In addition, the article also presents performance of a model predictive controller for the moving bed regenerator under process constraints.

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Section: Introductionmentioning

confidence: 99%

“…Recently, CCSI researchers have developed a general one‐dimensional, three region model for a solid sorbent‐based CO 2 capture process using a bubbling fluidized bed adsorber reactor . The CCSI team has also studied the tradeoffs for various types of contactors for use in solid sorbent‐based CO 2 capture processes …”

Section: Introductionmentioning

confidence: 99%

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

et al. 2016

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“…In this work, the fixed bed cycle model is connected to derivative-free optimizers in the Framework for Optimization, Quantification of Uncertainty, and Surrogates (FOQUS). 32 Microsoft Excel is also used to perform the cost calculations and aid in the transfer of information between FOQUS and Aspen Adsorption. The fixed bed optimization problem formulation is shown in eq 35.…”

Section: Tsa Process Modelmentioning

confidence: 99%

“…These models will be drastically reduced in size, but they will sacrifice accuracy. In this work, the fixed bed cycle model is connected to derivative-free optimizers in the Framework for Optimization, Quantification of Uncertainty, and Surrogates (FOQUS) . Microsoft Excel is also used to perform the cost calculations and aid in the transfer of information between FOQUS and Aspen Adsorption.…”

Section: Model Developmentmentioning

confidence: 99%

Modeling and Techno-Economic Optimization of a Tetraamine-Appended Metal–Organic Framework for NGCC-Based CO₂ Capture Using Fixed Bed Contactors

Hughes,

Yancy-Caballero,

Zamarripa-Perez

et al. 2024

Energy Fuels

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Amine-appended metal−organic frameworks (MOFs) of the class Mg 2 (dobpdc) have garnered attention recently as promising sorbents for CO 2 capture but present difficult modeling challenges, in part due to their unique step-shaped adsorption isotherms. In this work, modeling and optimization of Mg 2 (dobpdc)(3−4−3) (dobpdc 4− = 4,4′-dioxidobiphenyl-3,3′dicarboxylate; 3−4−3 = N,N′bis(3-aminopropyl)-1,4-diaminobutane) is undertaken for CO 2 capture from a natural gas combined cycle (NGCC) flue gas source. A new isotherm model is developed using a weighted Langmuir isotherm model that is extended to predict multistep isotherm shapes and is fit to experimental data of Mg 2 (dobpdc)(3−4−3). The isotherm model is used to develop a dynamic, nonisothermal fixed bed contactor model that is validated with experimental breakthrough data. A temperature swing adsorption process using fixed bed contactors is developed to capture CO 2 from an ∼600 gross megawatt NGCC power plant. Using a cost model that closely follows the quality guidelines set forth by the National Energy Technology Laboratory, techno-economic optimization is performed using the Framework for Optimization, Quantification of Uncertainty, and Surrogates to minimize the cost of the capture system and subsequently compare it with state-of-the-art amine-based solvent systems. An uncertainty analysis of how the price of the MOF will affect the overall process economics is performed along with possible improvements due to heat recovery and high-temperature regeneration. The results show that the cost of capture is only ∼30% higher than that of solvent capture systems under realistic heat recovery assumptions. This work also leads to an investigation of other fixed bed cycle types and contactor technologies as areas of future work.

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Development of a chemistry-based isotherm model and techno-economic optimization of a moving bed process for CO2 capture using a functionalized metal-organic framework

Hughes,

Kotamreddy,

Bhattacharyya

et al. 2024

Chemical Engineering Science

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Innovative Computational Tools and Models for the Design, Optimization and Control of Carbon Capture Processes

Cited by 7 publications

References 35 publications

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

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

Modeling and Techno-Economic Optimization of a Tetraamine-Appended Metal–Organic Framework for NGCC-Based CO₂ Capture Using Fixed Bed Contactors

Development of a chemistry-based isotherm model and techno-economic optimization of a moving bed process for CO2 capture using a functionalized metal-organic framework

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Innovative Computational Tools and Models for the Design, Optimization and Control of Carbon Capture Processes

Cited by 7 publications

References 35 publications

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

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

Modeling and Techno-Economic Optimization of a Tetraamine-Appended Metal–Organic Framework for NGCC-Based CO2 Capture Using Fixed Bed Contactors

Development of a chemistry-based isotherm model and techno-economic optimization of a moving bed process for CO2 capture using a functionalized metal-organic framework

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Product

Resources

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

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

Modeling and Techno-Economic Optimization of a Tetraamine-Appended Metal–Organic Framework for NGCC-Based CO₂ Capture Using Fixed Bed Contactors